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(3S)-4-Cyano-3-phenylbutanoic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(3S)-4-Cyano-3-phenylbutanoic acid
SpectraBase Compound ID 7Jelbcm9ujR
InChI InChI=1S/C11H11NO2/c12-7-6-10(8-11(13)14)9-4-2-1-3-5-9/h1-5,10H,6,8H2,(H,13,14)/t10-/m0/s1
InChIKey MZGSUTHFZYOIHU-JTQLQIEISA-N
Mol Weight 189.21 g/mol
Molecular Formula C11H11NO2
Exact Mass 189.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fSNRKEjseq
Name (3S)-4-Cyano-3-phenylbutanoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO2
InChI InChI=1S/C11H11NO2/c12-7-6-10(8-11(13)14)9-4-2-1-3-5-9/h1-5,10H,6,8H2,(H,13,14)/t10-/m0/s1
InChIKey MZGSUTHFZYOIHU-JTQLQIEISA-N
Molecular Weight 189.214 g/mol
SMILES OC(C[C@](CC#N)(c1ccccc1)[H])=O
SPLASH splash10-0a59-0900000000-cd985ea683c44c5a8d5e
Source of Spectrum QC-12-3371-2
Synonyms (3S)-4-cyano-3-phenyl-butyric acid
Wiley ID 1634957