NMR spectrum of Methyl 2-methylpropanoate Solution of Methyl 2-methylpropanoate in Chloroform-d

  • Instrument Type: 300 MHz NMR
  • Instrument: dpx300
  • Vendor: Bruker
  • Observe Frequency: 299.9017994 MHz
  • Shift Reference: INTERNAL, CDCl3, 1, 14.04256
  • Observe Nucleus: 1H
  • Acquisition Mode: SIMULTANEOUS
  • Solvent Name: CDCl3
  • Replicate Scans: 16
  • Signal Resolution: 18
  • Filename: nmr.dx
  • Filetype: jcamp
  • Version: 6.0
  • Date: Oct 14, 2016
  • Owner: ochem
  • AsdfType: PACFIX
  • Number of Data Points: 16384
  • First X-axis Value: 16
  • Last X-axis Value: 0
  • Maximum Y-axis Value: 301,029,692
  • Minimum Y-axis Value: -772,713
  • X-axis Scaling Factor: 0.29231396671456
  • Y-axis Scaling Factor: 1
  • First Y-axis Value: -78,287
  • X-axis Increment: -0.00097
  • Comments
    • 1.72 TOPSPIN Version 2.1;2011-11-15 14:00:42.291 +0000 CFS\gag3@CH-542851-001;Compression mode = fixed;##TITLE= Audit trail, XWIN-NMR Version 3.5;##JCAMPDX= 5.01;##ORIGIN= Bruker BioSpin GmbH;##OWNER= ochem;$$ o:/data/ochem/nmr/gag_methiso/10/pdata/1/auditp.txt;##AUDIT TRAIL= $$ (NUMBER, WHEN, WHO, WHERE, WHAT);##END=;;$$ hash MD5;$$ AB 91 55 D6 B9 D3 3C B9 9E 3A 99 22 76 53 3C C0;EDIT_PAR COMMAND FILE;;DI_MODE LONG;ED_ENTRY ACQU;ORDER FILE;;;HEADER "F2 - Acquisition Parameters";T_NAME Date_;TYPE R64;CLASS ACQU;SUBRANGE 0.0 50000000;REL "Date_=itodate(DATE)";INV_REL "DATE=datetoi(Date_,DATE)";FORMAT "%14.0f";TEXT " ";END;T_NAME Time;TYPE R32;CLASS ACQU;SUBRANGE 0.0 1000000;REL "Time=itotime(DATE)";INV_REL "DATE=timetoi(Time,DATE)";FORMAT "%14.2f";TEXT " ";END;NAME INSTRUM;TEXT " ";END;NAME PROBHD;FORMAT "%14.14s";TEXT " ";END;NAME PULPROG;TEXT " ";END;NAME TD;TEXT " ";END;NAME SOLVENT;TEXT " ";END;NAME NS;TEXT " ";END;NAME DS;TEXT " ";END;T_NAME SWH;TYPE R32;CLASS ACQU;SUBRANGE 0.0 1e8;REL "SWH=SW*SFO1";INV_REL "SW=SWH/SFO1";UNIT "Hz";FORMAT "%14.3f Hz";TEXT " ";END;T_NAME FIDRES;TYPE R32;CLASS ACQU;SUBRANGE 0.0 100000;REL "FIDRES=SW*SFO1/TD";INV_REL "TD = nextpow(SW*SFO1/FIDRES)";UNIT "Hz";FORMAT "%14.6f Hz";TEXT " ";END;T_NAME AQ;TYPE R32;CLASS ACQU;SUBRANGE 0.0 1000;REL "AQ=aqcalc(SW,SFO1,TD,DIGTYP)";INV_REL "TD=tdcalc(SW,SFO1,1.0e6*AQ,DIGTYP)";UNIT "sec";FORMAT "%14.7f sec";TEXT " ";END;NAME RG;TEXT " ";END;T_NAME DW;TYPE R32;CLASS ACQU;SUBRANGE 0.0 1000000;REL "DW=1/(2*SW*SFO1)";INV_REL "SW=1000000/(2*(0.005+DW)*SFO1)";UNIT "usec";FORMAT "%14.3lf usec";TEXT " ";END;NAME DE;FORMAT "%14.2f usec";TEXT " ";END;NAME TE;FORMAT "%14.1f K";TEXT " ";END;T_NAME D1;TYPE R32;CLASS ACQU;SUBRANGE 0.0 1000000;REL "D1=D[1]";INV_REL "D[1]=D1";UNIT "sec";FORMAT "%14.8f sec";TEXT " ";END;T_NAME MCREST;TYPE R32;SUBRANGE 0.0 1e8;CLASS ACQU;REL "MCREST = 30m - 30m";INV_REL "D[0]=MCREST ";UNIT "sec";TEXT " ";FORMAT "%14.8f sec";NONEDIT;END;T_NAME MCWRK;TYPE R32;SUBRANGE 0.0 1e8;CLASS ACQU;REL "MCWRK = 0.500000*30m";INV_REL "D[0]=MCWRK ";UNIT "sec";TEXT " ";FORMAT "%14.8f sec";NONEDIT;END;HEADER "======== CHANNEL f1 ========";NAME NUC1;TEXT " ";END;T_NAME P1;TYPE R32;CLASS ACQU;SUBRANGE 0.0 1.0e10;REL "P1=P[1]";INV_REL "P[1]=P1";UNIT "usec";FORMAT "%14.2f usec";TEXT " ";END;T_NAME PL1;TYPE R32;CLASS ACQU;SUBRANGE -6.0 120;REL "PL1=PL[1]";INV_REL "PL[1]=PL1";UNIT "dB";FORMAT "%14.2f dB";TEXT " ";END;NAME SFO1;FORMAT "%14.7f MHz";TEXT " ";END;##TITLE= Parameter file, XWIN-NMR Version 3.5;##JCAMPDX= 5.0;##DATATYPE= Parameter Values;##ORIGIN= Bruker BioSpin GmbH;##OWNER= ochem;$$ Tue Nov 15 09:45:47 2011 GMT Standard Time (UT+0h) ochem@FREYA;$$ C:\u/data/ochem/nmr/gag_methiso/10/scon;##$BLKPA= (0..15);##$BLKTR= (0..15);##$DE1= 2;##$DE2= 2;##$DEADC= 4;##$DEPA= 2;##$DERX= 3;##$PHASP4= (0..15);##$PHASPR= (0..15);##$SHAPPR= (0..15);##END=;#*******************************************************************;#;# $Source: /sc/CvsTree/sc/gen/src/prg/scripts/tix/prosol/lib/lists/default,v $;#;# Copyright (c) 1999;# BRUKER ANALYTIK GMBH;# D-76287 Rheinstetten, Germany;#;# All Rights Reserved;#;#;# $Id: default,v 1.10.2.1 2003/03/13 14:48:33 bau Exp $;#;#*******************************************************************;;#../conf/instr/spect/prosol/relations/default;P[0]=P90[F1];;P[1]=P90[F1];;P[2]=P90[F1]*2;;P[3]=P90[F2];;P[4]=P90[F2]*2;;P[5]=PTOC[F1]*0.66;;P[6]=PTOC[F1];;P[7]=PTOC[F1]*2;;P[9]=PTOC[F2];;P[10]=PTOC[F2]*2;;P[11]=PSH1[F1];;#P[11]=PSH8[F1];;P[12]=PSH2[F1];;P[14]=PSH3[F2]; # 180 inv.;P[15]=TROE[F1];;P[18]=PSH7[F1];;P[21]=P90[F3];;P[22]=P90[F3]*2;;P[23]=P90[F4];;P[24]=PSH2[F2]; # 180 ref.;P[25]=PROE[F1]*2;;P[27]=P90[F1];;PCPD[1]=PCPDP[F1];;PCPD[2]=PCPDP[F2];;PCPD[3]=PCPDP[F3];;PL[1]=PL90[F1];;PL[2]=PL90[F2];;PL[3]=PL90[F3];;PL[4]=PL90[F4];;PL[9]=PLCW[F1];;PL[10]=PLTOC[F1];;PL[11]=PLROE[F1];;PL[12]=PLCPDP[F2];;PL[13]=PLCPD2[F2];;PL[14]=PLNOE[F2];;PL[15]=PLTOC[F2];;PL[16]=PLCPDP[F3];;PL[18]=PL90[F1];;PL[19]=PLCPDP[F1];;PL[21]=PLCW[F2];;PL[23]=PLTOC[F3];;PL[24]=PLHD[F2];;PL[27]=PLROE[F1];;SP[1]=PLSH1[F1];;SP[2]=PLSH2[F1];;SP[3]=PLSH3[F2];;SP[6]=PLSH7[F1];;SP[7]=PLSH2[F2];;SPNAM1=PNSH1[F1];;SPNAM2=PNSH2[F1];;SPNAM3=PNSH3[F2];;SPNAM6=PNSH7[F1];;SPNAM7=PNSH2[F2];;SPOAL[1]=PASH1[F1];;SPOAL[2]=PASH2[F1];;SPOAL[3]=PASH3[F2];;SPOAL[6]=PASH7[F1];;SPOAL[7]=PASH2[F2];;D[9]=TTOC[F1];;D[16]=D_grad;;P[16]=P_grad1;;P[17]=P_mlev;;P[19]=P_grad2;;P[28]=P_hsqc;;;# 1 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zg30";;zg30;;avance-version (02/05/31);;1D sequence;;using 30 degree flip angle;;;# 1 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/Avance.incl" 1;;Avance.incl;;;;avance-version (03/02/17);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$Id: Avance1.incl,v 1.7.2.3 2003/02/25 14:48:47 ber Exp $;# 7 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zg30" 2;;;;# 1 "mc_line 10 file C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zg30 expanding definition part of mc command before ze";define delay MCWRK;define delay MCREST;"MCWRK = 0.500000*30m";"MCREST = 30m - 30m";# 10 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zg30";1 ze;# 1 "mc_line 10 file C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zg30 expanding definition of mc command after ze";# 11 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zg30";# 1 "mc_line 11 file C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zg30 expanding start label for mc command";2 MCWRK * 2;LBLF0, MCREST;# 12 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zg30";d1;p1*0.33 ph1;go=2 ph31;# 1 "mc_line 15 file C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zg30 expanding mc command in line";MCWRK wr #0;MCWRK zd;lo to LBLF0 times td0;;# 16 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zg30";exit;;;ph1=0 2 2 0 1 3 3 1;ph31=0 2 2 0 1 3 3 1;;;;pl1 : f1 channel - power level for pulse (default);;p1 : f1 channel - 90 degree high power pulse;;d1 : relaxation delay; 1-5 * T1;;NS: 1 * n, total number of scans: NS * TD0;;;;;$Id: zg30,v 1.7 2002/06/12 09:05:20 ber Exp $;##TITLE= Parameter file, XWIN-NMR Version 3.5;##JCAMPDX= 5.0;##DATATYPE= Parameter Values;##ORIGIN= Bruker BioSpin GmbH;##OWNER= root;$$ Tue May 24 14:09:48 2011 GMT Daylight Time (UT+1h) ochem@FREYA;$$ C:/Bruker/XWIN-NMR/conf/instr/dpx300/uxnmr.par;##$ACB= 0;##$ACBTAT= (0..15);##$ACBTBA= (0..15);##$ACBTCTL= (0..15);##$ACBTDI= (0..15);##$ACBTDM= (0..15);##$ACBTFHI= (0..15);##$ACBTFL= (0..15);##$ACBTFLO= (0..15);##$ACBTOUT= (0..15);##$ACBTPO= (0..15);##$ACBTPW= (0..15);##$ACBTSB= (0..15);##$ACBTY= ;##$AQSBDHW= (0..31);##$AQSBDID= (0..31);##$AQSBDNO= (0..31);##$AQSBDTY= (0..31);##$AQSBUAD= (0..31);##$AQSECL= (0..31);##$AQSECLS= (0..31);##$ATT19F= (0..1);##$ATT1H= (0..1);##$ATT3H= (0..1);##$ATTX= (0..1);##$ATTY= (0..1);##$ATTZ= (0..1);##$BACSTY= ;##$BARPTY= ;##$BFREQ= 299.9;##$BIRDS= no;##$BMPC= 0;##$BMPCTY= ;##$BPSUTY= ;##$BSMS= 1;##$BSMSTY= ;##$CFASMOD= (0..7);##$CFASMUL= (0..7);##$CNFTXDR= (0..7);##$COMDIG2= 0;##$CPDBTY= ;##$CRCOTY= ;##$DIGI140= (0..7);##$DIGIB12= (0..7);##$DIGIB16= (0..7);##$DIGIFA= (0..7);##$DIGIHA= (0..7);##$DIGIHAF= (0..7);##$DIGIHRD= (0..7);##$DIGIIA= (0..7);##$DIGIO16= (0..7);##$DIGISA= (0..7);##$DIGISAF= (0..7);##$DIGISL= (0..7);##$DIGITYI= (0..7);##$DIGITYP= (0..7);##$DIGITZ= 0;##$FCUMEM= (0..7);##$FCUPAL= (0..7);##$FQMIX= 0;##$FUNCMOD= <>;##$GCUTYPE= 1;##$HFAC= 3;##$HPCU= 0;##$HPCUTY= ;##$HPTXLP= (0..3);##$HPTXPI= (0..3);##$HPTXPO= (0..3);##$HPTXTY= (0..3);##$IF451= 0;##$IFREQ= 1;##$INTFPR= 0;##$LOCKTY= ;##$LOCSWID= 0;##$M2FAC= 0;##$MASTY= ;##$MEMPRM= 0;##$MHFAC= 0;##$MXFAC= 0;##$NAMPD1= <2H>;##$NAMPD10= <>;##$NAMPD11= <>;##$NAMPD12= <>;##$NAMPD13= <>;##$NAMPD14= <>;##$NAMPD15= <>;##$NAMPD16= <>;##$NAMPD2= <1H>;##$NAMPD3= ;##$NAMPD4= <>;##$NAMPD5= <>;##$NAMPD6= <>;##$NAMPD7= <>;##$NAMPD8= <>;##$NAMPD9= <>;##$NFCU= 2;##$NMRCH= 0;##$NMRMEM= 0;##$NRCU= 1;##$NROUT= 1;##$PAMPF1= (0..15);##$PAMPF2= (0..15);##$PAMPF3= (0..15);##$PAMPF4= (0..15);##$PAMPF5= (0..15);##$PAMPF6= (0..15);##$PAMPF7= (0..15);##$PAMPF8= (0..15);##$PH4= 0;##$PHF4TY= ;##$POWCHK= no;##$PRAMD1= (0..7);##$PRAMD10= (0..7);##$PRAMD11= (0..7);##$PRAMD12= (0..7);##$PRAMD13= (0..7);##$PRAMD14= (0..7);##$PRAMD15= (0..7);##$PRAMD16= (0..7);##$PRAMD2= (0..7);##$PRAMD3= (0..7);##$PRAMD4= (0..7);##$PRAMD5= (0..7);##$PRAMD6= (0..7);##$PRAMD7= (0..7);##$PRAMD8= (0..7);##$PRAMD9= (0..7);##$PRAMLED= (0..1);##$PRAMP1= ;##$PRAMP2= ;##$PRAMP3= ;##$PRAMP4= ;##$PRAMP5= ;##$PRAMP6= ;##$PRAMP7= ;##$PRAMP8= ;##$PRAMPTP= 0;##$PREPTY= ;##$PRESHLD= 0;##$PTS160= -1;##$PTSA2X= (0..7);##$PTSF2X= (0..7);##$PTSFMX= (0..7);##$PULCHK= no;##$RCUCDS= (0..7);##$RCUCFS= (0..7);##$RCUCSS= (0..7);##$RCUI2C1= (0..7);##$RCUI2C2= (0..7);##$RCUI2C3= (0..7);##$RCUI2C4= (0..7);##$RCUI2C5= (0..7);##$RCUI2C6= (0..7);##$RCUI2C7= (0..7);##$RCUI2C8= (0..7);##$RDCU= 0;##$RGTYPE= (0..7);##$RG_max= (0..7);##$RG_min= (0..7);##$ROUTER= 2;##$RX22TY= ;##$SCMTY= ;##$SPECTR= 7;##$SY2FLAG= 0;##$TFXNUM= 0;##$TRIPLO2= 0;##$VTUTY= ;##$WBREFAM= (0..15);##$WBREFPH= (0..15);##$XFAC= 2;##END=;P 0;3.823754 3.502101;2.849049 2.339279;1.313889 1.043896;1.042921 0.556543;0.117926 -0.169612;;Current Data Parameters;NAME gag_methiso;EXPNO 10;PROCNO 1;;F2 - Acquisition Parameters;Date_ 20111115;Time 9.47;INSTRUM dpx300;PROBHD 5 mm QNP 1H/1;PULPROG zg30;TD 32768;SOLVENT CDCl3;NS 16;DS 2;SWH 4789.272 Hz;FIDRES 0.146157 Hz;AQ 3.4210291 sec;RG 50.8;DW 104.400 usec;DE 6.00 usec;TE 300.0 K;D1 1.00000000 sec;MCREST 0.00000000 sec;MCWRK 0.01500000 sec;;======== CHANNEL f1 ========;NUC1 1H;P1 10.75 usec;PL1 -6.00 dB;SFO1 299.9017994 MHz;;F2 - Processing parameters;SI 16384;SF 299.8999827 MHz;WDW EM;SSB 0;LB 0.30 Hz;GB 0;PC 1.00;Bruker specific parameters;--------------------------;End of Bruker specific parameters;---------------------------------;
    • Bruker NMR JCAMP-DX V2.0
    • (NUMBER, WHEN, WHO, WHERE, PROCESS, VERSION, WHAT)
  • Errors
    • LDRS
      • No time given
      • No date given
    • STANDARDIZE
      • Incomplete IR JCAMP-DX file
      • LDR(##RESOLUTION) not found (default set to NaN);
    • DECOMPRESS
      • (Set 1) NOTE: Compression format detected as PACFIX
      • (Set 1) FIRSTX (4788.97971668463) does not match actual first x point (4788.97971668462)

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