SpectraSchool Collection

Collection of IR, MS, and NMR spectrum for ~100 compounds used on the RSC's SpectraSchool website
Uploaded by: Stuart Chalk
Orginal source: Tony Williams
Website: http://www.rsc.org/learn-chemistry/collections/spectroscopy

Compounds

(+)-(r)-limonene

(+)-(r)-limonene
Inchikey: XMGQYMWWDOXHJM-JTQLQIEISA-N

13C NMR 1H NMR IR MS
(+)-(s)-carvone

(+)-(s)-carvone
Inchikey: ULDHMXUKGWMISQ-VIFPVBQESA-N

13C NMR 1H NMR IR MS
(-)-(s)-limonene

(-)-(s)-limonene
Inchikey: XMGQYMWWDOXHJM-SNVBAGLBSA-N

13C NMR 1H NMR IR MS
1,2,3-trichlorobenzene

1,2,3-trichlorobenzene
Inchikey: RELMFMZEBKVZJC-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
1,2,4-trichlorobenzene

1,2,4-trichlorobenzene
Inchikey: PBKONEOXTCPAFI-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
1,3,5-trichlorobenzene

1,3,5-trichlorobenzene
Inchikey: XKEFYDZQGKAQCN-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
1,4-dibromobenzene

1,4-dibromobenzene
Inchikey: SWJPEBQEEAHIGZ-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
1,4-dichlorobenzene

1,4-dichlorobenzene
Inchikey: OCJBOOLMMGQPQU-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
1-aminopropane

1-aminopropane
Inchikey: WGYKZJWCGVVSQN-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
1-bromo-4-chlorobenzene

1-bromo-4-chlorobenzene
Inchikey: NHDODQWIKUYWMW-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
1-bromopropane

1-bromopropane
Inchikey: CYNYIHKIEHGYOZ-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
2,2-dimethylpropanoic acid

2,2-dimethylpropanoic acid
Inchikey: IUGYQRQAERSCNH-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
2-aminopropane

2-aminopropane
Inchikey: JJWLVOIRVHMVIS-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
2-bromo-2-methylpropane

2-bromo-2-methylpropane
Inchikey: RKSOPLXZQNSWAS-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
2-chloro-2-methylpropane

2-chloro-2-methylpropane
Inchikey: NBRKLOOSMBRFMH-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
2-ethylbut-1-ene

2-ethylbut-1-ene
Inchikey: RYKZRKKEYSRDNF-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
2-methyl-2-aminopropane

2-methyl-2-aminopropane
Inchikey: YBRBMKDOPFTVDT-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
2-methylpropan-2-ol

2-methylpropan-2-ol
Inchikey: DKGAVHZHDRPRBM-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
3,3-dimethylbutan-2-ol

3,3-dimethylbutan-2-ol
Inchikey: DFOXKPDFWGNLJU-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Adamantane

Adamantane
Inchikey: ORILYTVJVMAKLC-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Aminoethanoic acid

Aminoethanoic acid
Inchikey: DHMQDGOQFOQNFH-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Aspirin

Aspirin
Inchikey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Atenolol

Atenolol
Inchikey: METKIMKYRPQLGS-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Benzaldehyde

Benzaldehyde
Inchikey: HUMNYLRZRPPJDN-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Benzoic acid

Benzoic acid
Inchikey: WPYMKLBDIGXBTP-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Benzyl alcohol

Benzyl alcohol
Inchikey: WVDDGKGOMKODPV-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Benzyl amine

Benzyl amine
Inchikey: WGQKYBSKWIADBV-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Bromobenzene

Bromobenzene
Inchikey: QARVLSVVCXYDNA-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Butanoic acid

Butanoic acid
Inchikey: FERIUCNNQQJTOY-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Butanone

Butanone
Inchikey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Caffeine

Caffeine
Inchikey: RYYVLZVUVIJVGH-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Chlorobenzene

Chlorobenzene
Inchikey: MVPPADPHJFYWMZ-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Ethanal

Ethanal
Inchikey: IKHGUXGNUITLKF-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Ethanamide

Ethanamide
Inchikey: DLFVBJFMPXGRIB-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Ethanenitrile

Ethanenitrile
Inchikey: WEVYAHXRMPXWCK-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Ethanoic acid

Ethanoic acid
Inchikey: QTBSBXVTEAMEQO-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Ethanoic anhydride

Ethanoic anhydride
Inchikey: WFDIJRYMOXRFFG-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Ethanol

Ethanol
Inchikey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Ethanoyl chloride

Ethanoyl chloride
Inchikey: WETWJCDKMRHUPV-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Ethyl benzoate

Ethyl benzoate
Inchikey: MTZQAGJQAFMTAQ-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Ethyl ethanoate

Ethyl ethanoate
Inchikey: XEKOWRVHYACXOJ-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Ethyl propanoate

Ethyl propanoate
Inchikey: FKRCODPIKNYEAC-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Ethyleneglycol diacetate

Ethyleneglycol diacetate
Inchikey: JTXMVXSTHSMVQF-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Isopropyl propanedioic acid

Isopropyl propanedioic acid
Inchikey: DQEUFPARIOFOAI-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Methyl 2-methylpropanoate

Methyl 2-methylpropanoate
Inchikey: BHIWKHZACMWKOJ-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Methyl 4-hydroxybenzoate

Methyl 4-hydroxybenzoate
Inchikey: LXCFILQKKLGQFO-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Methyl benzoate

Methyl benzoate
Inchikey: QPJVMBTYPHYUOC-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Methyl ethanoate

Methyl ethanoate
Inchikey: KXKVLQRXCPHEJC-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Methyl methanoate

Methyl methanoate
Inchikey: TZIHFWKZFHZASV-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Methyl propanoate

Methyl propanoate
Inchikey: RJUFJBKOKNCXHH-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Methyl propanoic acid

Methyl propanoic acid
Inchikey: KQNPFQTWMSNSAP-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Methyl-3-nitrobenzoate

Methyl-3-nitrobenzoate
Inchikey: AXLYJLKKPUICKV-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Methylbenzene

Methylbenzene
Inchikey: YXFVVABEGXRONW-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Methylethyl ethanoate

Methylethyl ethanoate
Inchikey: JMMWKPVZQRWMSS-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
N-tert-butylmethylamine

N-tert-butylmethylamine
Inchikey: ZQGJEUVBUVKZKS-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Paracetamol

Paracetamol
Inchikey: RZVAJINKPMORJF-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Pentan-2-one

Pentan-2-one
Inchikey: XNLICIUVMPYHGG-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Pentan-3-one

Pentan-3-one
Inchikey: FDPIMTJIUBPUKL-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Phenylamine

Phenylamine
Inchikey: PAYRUJLWNCNPSJ-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Phenylethene

Phenylethene
Inchikey: PPBRXRYQALVLMV-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Propan-1-ol

Propan-1-ol
Inchikey: BDERNNFJNOPAEC-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Propan-2-ol

Propan-2-ol
Inchikey: KFZMGEQAYNKOFK-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Propanal

Propanal
Inchikey: NBBJYMSMWIIQGU-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Propanamide

Propanamide
Inchikey: QLNJFJADRCOGBJ-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Propanenitrile

Propanenitrile
Inchikey: FVSKHRXBFJPNKK-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Propanoic acid

Propanoic acid
Inchikey: XBDQKXXYIPTUBI-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
Propanone

Propanone
Inchikey: CSCPPACGZOOCGX-UHFFFAOYSA-N

13C NMR 1H NMR IR MS
R-(-)-Carvone

R-(-)-Carvone
Inchikey: ULDHMXUKGWMISQ-SECBINFHSA-N

13C NMR 1H NMR IR MS
Salicylic acid

Salicylic acid
Inchikey: YGSDEFSMJLZEOE-UHFFFAOYSA-N

13C NMR 1H NMR IR MS