For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(S)-(+)-3-O-Benzoyl-4-cyanobutanoic acid
SpectraBase Compound ID D3aHl505uAw
InChI InChI=1S/C12H11NO4/c13-7-6-10(8-11(14)15)17-12(16)9-4-2-1-3-5-9/h1-5,10H,6,8H2,(H,14,15)/t10-/m0/s1
InChIKey GKWZKZVNTLJRFP-JTQLQIEISA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 74y8GUWGRdw
Name (S)-(+)-3-O-Benzoyl-4-cyanobutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c13-7-6-10(8-11(14)15)17-12(16)9-4-2-1-3-5-9/h1-5,10H,6,8H2,(H,14,15)/t10-/m0/s1
InChIKey GKWZKZVNTLJRFP-JTQLQIEISA-N
Molecular Weight 233.223 g/mol
SMILES OC(C[C@@](OC(=O)c1ccccc1)(CC#N)[H])=O
SPLASH splash10-0a6r-6900000000-c825615bca040569b93f
Source of Spectrum QC-4-1101-11
Synonyms (3S)-3-benzoyloxy-4-cyanobutanoic acid (3S)-3-benzoyloxy-4-cyano-butanoic acid (3S)-4-cyano-3-(phenylcarbonyloxy)butanoic acid
Wiley ID 883289