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(3S)-4-Cyano-3-(4-methylphenyl)butanoic acid
SpectraBase Compound ID H9RmvSaJR9r
InChI InChI=1S/C12H13NO2/c1-9-2-4-10(5-3-9)11(6-7-13)8-12(14)15/h2-5,11H,6,8H2,1H3,(H,14,15)/t11-/m0/s1
InChIKey FNCCDVGVKDOXHL-NSHDSACASA-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 tfl2Q9EGbH
Name (3S)-4-Cyano-3-(4-methylphenyl)butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-9-2-4-10(5-3-9)11(6-7-13)8-12(14)15/h2-5,11H,6,8H2,1H3,(H,14,15)/t11-/m0/s1
InChIKey FNCCDVGVKDOXHL-NSHDSACASA-N
Molecular Weight 203.241 g/mol
SMILES OC(C[C@@](c1ccc(cc1)C)(CC#N)[H])=O
SPLASH splash10-00di-0910000000-2ac426985df190c802f1
Source of Spectrum QC-12-3371-2
Wiley ID 1634953