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4-[4'-Cyano-2'-methylphenyl]-butanoic Acid

View entire compound with spectra: 1 MS (GC)

4-[4'-Cyano-2'-methylphenyl]-butanoic Acid
SpectraBase Compound ID 83Q1ICbCsmP
InChI InChI=1S/C12H13NO2/c1-9-7-10(8-13)5-6-11(9)3-2-4-12(14)15/h5-7H,2-4H2,1H3,(H,14,15)
InChIKey ORKSOAQITOCEHM-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzbyZnWWfXf
Name 4-[4'-Cyano-2'-methylphenyl]-butanoic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-9-7-10(8-13)5-6-11(9)3-2-4-12(14)15/h5-7H,2-4H2,1H3,(H,14,15)
InChIKey ORKSOAQITOCEHM-UHFFFAOYSA-N
Molecular Weight 203.241 g/mol
SMILES OC(CCCc1ccc(cc1C)C#N)=O
SPLASH splash10-0006-6900000000-696ca51426d974a3f8bf
Source of Spectrum MZ-34-3758-5
Synonyms 4-(4-cyano-2-methylphenyl)butanoic acid
Wiley ID 1582637