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2-Chloro-N-(3-chloro-4-fluorophenyl)propanamide

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

2-Chloro-N-(3-chloro-4-fluorophenyl)propanamide
SpectraBase Compound ID CcwQ5NlEV8g
InChI InChI=1S/C9H8Cl2FNO/c1-5(10)9(14)13-6-2-3-8(12)7(11)4-6/h2-5H,1H3,(H,13,14)
InChIKey YVPGRZXOVIMESQ-UHFFFAOYSA-N
Mol Weight 236.07 g/mol
Molecular Formula C9H8Cl2FNO
Exact Mass 234.996697 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DgGGYqPBTCf
Name 2-Chloro-N-(3-chloro-4-fluorophenyl)propanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.996697444 u
Formula C9H8Cl2FNO
InChI InChI=1S/C9H8Cl2FNO/c1-5(10)9(14)13-6-2-3-8(12)7(11)4-6/h2-5H,1H3,(H,13,14)
InChIKey YVPGRZXOVIMESQ-UHFFFAOYSA-N
Molecular Weight 236.073 g/mol
SMILES C(NC1=CC(Cl)=C(C=C1)F)(C(C)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81678