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3,4-dichloro-N-propylbenzamide

View entire compound with spectra: 2 NMR, and 1 FTIR

3,4-dichloro-N-propylbenzamide
SpectraBase Compound ID C3JW1YCEH6r
InChI InChI=1S/C10H11Cl2NO/c1-2-5-13-10(14)7-3-4-8(11)9(12)6-7/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKey JGGLHTRYIITBNL-UHFFFAOYSA-N
Mol Weight 232.11 g/mol
Molecular Formula C10H11Cl2NO
Exact Mass 231.021769 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JZlbRBlpsmH
Name 3,4-Dichloro-N-propylbenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.021769377 u
Formula C10H11Cl2NO
InChI InChI=1S/C10H11Cl2NO/c1-2-5-13-10(14)7-3-4-8(11)9(12)6-7/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKey JGGLHTRYIITBNL-UHFFFAOYSA-N
Molecular Weight 232.110 g/mol
SMILES C1(Cl)=C(C=CC(=C1)C(=O)NCCC)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.816275