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N-(4-Acetylphenyl)-3-chloropropanamide

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

N-(4-Acetylphenyl)-3-chloropropanamide
SpectraBase Compound ID 1QTKArogd57
InChI InChI=1S/C11H12ClNO2/c1-8(14)9-2-4-10(5-3-9)13-11(15)6-7-12/h2-5H,6-7H2,1H3,(H,13,15)
InChIKey CFTHHVYPCUMUNT-UHFFFAOYSA-N
Mol Weight 225.67 g/mol
Molecular Formula C11H12ClNO2
Exact Mass 225.055656 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JhqXRpyV6Hn
Name N-(4-Acetylphenyl)-3-chloropropanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.055656328 u
Formula C11H12ClNO2
InChI InChI=1S/C11H12ClNO2/c1-8(14)9-2-4-10(5-3-9)13-11(15)6-7-12/h2-5H,6-7H2,1H3,(H,13,15)
InChIKey CFTHHVYPCUMUNT-UHFFFAOYSA-N
Molecular Weight 225.675 g/mol
SMILES C(Cl)CC(=O)NC1=CC=C(C=C1)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9434