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N-(2,2-dichloroethenyl)-4-methylbenzamide

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

N-(2,2-dichloroethenyl)-4-methylbenzamide
SpectraBase Compound ID USyr6rfoPi
InChI InChI=1S/C10H9Cl2NO/c1-7-2-4-8(5-3-7)10(14)13-6-9(11)12/h2-6H,1H3,(H,13,14)
InChIKey HPFANBPWWVMZQZ-UHFFFAOYSA-N
Mol Weight 230.09 g/mol
Molecular Formula C10H9Cl2NO
Exact Mass 229.006119 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4JPsRlMzHNe
Name N-(2,2-Dichloroethenyl)-4-methylbenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.006119313 u
Formula C10H9Cl2NO
InChI InChI=1S/C10H9Cl2NO/c1-7-2-4-8(5-3-7)10(14)13-6-9(11)12/h2-6H,1H3,(H,13,14)
InChIKey HPFANBPWWVMZQZ-UHFFFAOYSA-N
Molecular Weight 230.094 g/mol
SMILES C(C=1C=CC(=CC1)C)(=O)NC=C(Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919192