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2-(4-Chlorophenyl)-3-cyanopropanoic acid
SpectraBase Compound ID GGxqvrlAmSG
InChI InChI=1S/C10H8ClNO2/c11-8-3-1-7(2-4-8)9(5-6-12)10(13)14/h1-4,9H,5H2,(H,13,14)
InChIKey OHDSZMNKDKOMSZ-UHFFFAOYSA-N
Mol Weight 209.63 g/mol
Molecular Formula C10H8ClNO2
Exact Mass 209.024356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJZ1MX89RLn
Name 2-(4-Chlorophenyl)-3-cyanopropanoic acid
Alternate Name(s) 2-(4'-Chlorophenyl)-3-cyanopropanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8ClNO2
InChI InChI=1S/C10H8ClNO2/c11-8-3-1-7(2-4-8)9(5-6-12)10(13)14/h1-4,9H,5H2,(H,13,14)
InChIKey OHDSZMNKDKOMSZ-UHFFFAOYSA-N
Molecular Weight 209.632 g/mol
SMILES OC(C(c1ccc(cc1)Cl)CC#N)=O
SPLASH splash10-01p9-1920000000-cd91da052463b215058d
Source of Spectrum JA-50-813-0
Wiley ID 1207940