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N-[(4'-Chloropheny)acetyl]fumaroylamide

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

N-[(4'-Chloropheny)acetyl]fumaroylamide
SpectraBase Compound ID DveEJeVlNCV
InChI InChI=1S/C12H11ClN2O3/c13-9-3-1-8(2-4-9)7-12(18)15-11(17)6-5-10(14)16/h1-6H,7H2,(H2,14,16)(H,15,17,18)/b6-5+
InChIKey VHPUUHXXNAUXOK-AATRIKPKSA-N
Mol Weight 266.68 g/mol
Molecular Formula C12H11ClN2O3
Exact Mass 266.04582 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GCJ8WApc0MQ
Name N-[(4'-Chloropheny)acetyl]fumaroylamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.045819919 u
Formula C12H11ClN2O3
InChI InChI=1S/C12H11ClN2O3/c13-9-3-1-8(2-4-9)7-12(18)15-11(17)6-5-10(14)16/h1-6H,7H2,(H2,14,16)(H,15,17,18)/b6-5+
InChIKey VHPUUHXXNAUXOK-AATRIKPKSA-N
Molecular Weight 266.684 g/mol
SMILES C(NC(\C=C\C(=O)N)=O)(=O)CC=1C=CC(=CC1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962825