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HYDROCINNAMIC ACID, B-METHYL-,

View entire compound with spectra: 8 NMR, 6 FTIR, 1 Raman, and 3 MS (GC)

HYDROCINNAMIC ACID, B-METHYL-,
SpectraBase Compound ID PuQrPkM5MX
InChI InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
InChIKey ZZEWMYILWXCRHZ-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EERbDyG64b6
Name Benzenepropanoic acid, .beta.-methyl-, (S)-
Alternate Name(s) 3-Phenylbutanoic acid (S)-3-Phenylbutyric acid .beta.-Phenyl-n-butyric acid 3-Phenylbutyric acid Benzenepropanoic acid, .beta.-methyl-
CAS Registry Number 772-15-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
InChIKey ZZEWMYILWXCRHZ-UHFFFAOYSA-N
Molecular Weight 164.204 g/mol
SMILES OC(CC(c1ccccc1)C)=O
SPLASH splash10-0a4i-4900000000-cf0c41b96613dd791e1b
Wiley ID 1493298