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2-(4-Chlorophenyl)-4-cyanobutanoic acid

View entire compound with spectra: 1 MS (GC)

2-(4-Chlorophenyl)-4-cyanobutanoic acid
SpectraBase Compound ID 9YoInRRwafz
InChI InChI=1S/C11H10ClNO2/c12-9-5-3-8(4-6-9)10(11(14)15)2-1-7-13/h3-6,10H,1-2H2,(H,14,15)
InChIKey LLABKQCAGPLBEU-UHFFFAOYSA-N
Mol Weight 223.66 g/mol
Molecular Formula C11H10ClNO2
Exact Mass 223.040006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmdWvM5ABNr
Name 2-(4-Chlorophenyl)-4-cyanobutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10ClNO2
InChI InChI=1S/C11H10ClNO2/c12-9-5-3-8(4-6-9)10(11(14)15)2-1-7-13/h3-6,10H,1-2H2,(H,14,15)
InChIKey LLABKQCAGPLBEU-UHFFFAOYSA-N
Molecular Weight 223.659 g/mol
SMILES OC(C(c1ccc(cc1)Cl)CCC#N)=O
SPLASH splash10-004r-1920000000-6737fdadcb9ada9f3421
Source of Spectrum JA-50-813-0
Synonyms 2-(4-Chlorophenyl)-4-cyano-butanoic acid
Wiley ID 1223818