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N-(3-Chloro-4-methylphenyl)-2-cyanoacetamide

View entire compound with spectra: 1 NMR, and 1 FTIR

N-(3-Chloro-4-methylphenyl)-2-cyanoacetamide
SpectraBase Compound ID AsMm260wVVI
InChI InChI=1S/C10H9ClN2O/c1-7-2-3-8(6-9(7)11)13-10(14)4-5-12/h2-3,6H,4H2,1H3,(H,13,14)
InChIKey JTBKZCLPLQHRBI-UHFFFAOYSA-N
Mol Weight 208.65 g/mol
Molecular Formula C10H9ClN2O
Exact Mass 208.040341 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4VN6JqKzZWM
Name N-(3-Chloro-4-methylphenyl)-2-cyanoacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.040340617 u
Formula C10H9ClN2O
InChI InChI=1S/C10H9ClN2O/c1-7-2-3-8(6-9(7)11)13-10(14)4-5-12/h2-3,6H,4H2,1H3,(H,13,14)
InChIKey JTBKZCLPLQHRBI-UHFFFAOYSA-N
Molecular Weight 208.648 g/mol
SMILES C1(Cl)=C(C=CC(=C1)NC(=O)CC#N)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936358