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 Google Search
Mol Weight	203.24 g/mol
Molecular Formula	C12H13NO2
Exact Mass	203.094629 g/mol

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SpectraBase Spectrum ID	DzbyZnWWfXf
Name	4-[4'-Cyano-2'-methylphenyl]-butanoic Acid
Alternate Name(s)	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
Wiley ID	1582637