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(3S)-4-Cyano-3-(4-methoxyphenyl)butanoic acid

View entire compound with spectra: 1 MS (GC)

(3S)-4-Cyano-3-(4-methoxyphenyl)butanoic acid
SpectraBase Compound ID BSnFgoAnp0U
InChI InChI=1S/C12H13NO3/c1-16-11-4-2-9(3-5-11)10(6-7-13)8-12(14)15/h2-5,10H,6,8H2,1H3,(H,14,15)/t10-/m0/s1
InChIKey QHRMNVHTIOYVEN-JTQLQIEISA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrgPcynlVKf
Name (3S)-4-Cyano-3-(4-methoxyphenyl)butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-16-11-4-2-9(3-5-11)10(6-7-13)8-12(14)15/h2-5,10H,6,8H2,1H3,(H,14,15)/t10-/m0/s1
InChIKey QHRMNVHTIOYVEN-JTQLQIEISA-N
Molecular Weight 219.240 g/mol
SMILES OC(C[C@@](c1ccc(cc1)OC)(CC#N)[H])=O
SPLASH splash10-000i-0910000000-03d008ff54383922a5df
Source of Spectrum QC-12-3372-2
Wiley ID 1634952