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[(o-Chlorobenzylidene)cyano]acetic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

[(o-Chlorobenzylidene)cyano]acetic acid
SpectraBase Compound ID Grhig0Y2dMQ
InChI InChI=1S/C10H6ClNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+
InChIKey SPTXWNXTYIDOON-VMPITWQZSA-N
Mol Weight 207.62 g/mol
Molecular Formula C10H6ClNO2
Exact Mass 207.008706 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LJX21Fx0NuH
Name [(o-Chlorobenzylidene)cyano]acetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.008706135 u
Formula C10H6ClNO2
InChI InChI=1S/C10H6ClNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+
InChIKey SPTXWNXTYIDOON-VMPITWQZSA-N
Molecular Weight 207.616 g/mol
SMILES C=1(\C=C\(C(=O)O)C#N)C(Cl)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881342