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2-(3-Chloranylpropanoylamino)-N-methyl-benzamide

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

2-(3-Chloranylpropanoylamino)-N-methyl-benzamide
SpectraBase Compound ID 4krXytPBpZI
InChI InChI=1S/C11H13ClN2O2/c1-13-11(16)8-4-2-3-5-9(8)14-10(15)6-7-12/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15)
InChIKey WKLGCQUZWZLCJU-UHFFFAOYSA-N
Mol Weight 240.69 g/mol
Molecular Formula C11H13ClN2O2
Exact Mass 240.066555 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HOiNR6iMCF2
Name 2-(3-Chloranylpropanoylamino)-N-methyl-benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.066555365 u
Formula C11H13ClN2O2
InChI InChI=1S/C11H13ClN2O2/c1-13-11(16)8-4-2-3-5-9(8)14-10(15)6-7-12/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15)
InChIKey WKLGCQUZWZLCJU-UHFFFAOYSA-N
Molecular Weight 240.690 g/mol
SMILES C=1(C(NC(CCCl)=O)=CC=CC1)C(=O)NC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976479