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Fumaric acid, monoamide, N-(4-chlorophenyl)-, ethyl ester

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

Fumaric acid, monoamide, N-(4-chlorophenyl)-, ethyl ester
SpectraBase Compound ID JkPSRZhsMDv
InChI InChI=1S/C12H12ClNO3/c1-2-17-12(16)8-7-11(15)14-10-5-3-9(13)4-6-10/h3-8H,2H2,1H3,(H,14,15)/b8-7+
InChIKey FTGWFSFTRHPHIF-BQYQJAHWSA-N
Mol Weight 253.68 g/mol
Molecular Formula C12H12ClNO3
Exact Mass 253.050571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J1UDHtK6E2y
Name Fumaric acid, monoamide, N-(4-chlorophenyl)-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.050570947 u
Formula C12H12ClNO3
InChI InChI=1S/C12H12ClNO3/c1-2-17-12(16)8-7-11(15)14-10-5-3-9(13)4-6-10/h3-8H,2H2,1H3,(H,14,15)/b8-7+
InChIKey FTGWFSFTRHPHIF-BQYQJAHWSA-N
Molecular Weight 253.685 g/mol
SMILES C(\C=C\C(NC1=CC=C(C=C1)Cl)=O)(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948958