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4-Chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide

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

4-Chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
SpectraBase Compound ID KpIZUHedUeO
InChI InChI=1S/C14H10ClN3O5/c1-8-2-4-10(17(20)21)7-12(8)16-14(19)11-5-3-9(15)6-13(11)18(22)23/h2-7H,1H3,(H,16,19)
InChIKey JXLUSNSGHKUZRB-UHFFFAOYSA-N
Mol Weight 335.7 g/mol
Molecular Formula C14H10ClN3O5
Exact Mass 335.030898 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BSh3fRkpqKw
Name 4-Chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.030898129 u
Formula C14H10ClN3O5
InChI InChI=1S/C14H10ClN3O5/c1-8-2-4-10(17(20)21)7-12(8)16-14(19)11-5-3-9(15)6-13(11)18(22)23/h2-7H,1H3,(H,16,19)
InChIKey JXLUSNSGHKUZRB-UHFFFAOYSA-N
Molecular Weight 335.703 g/mol
SMILES C1=C(C(=CC=C1N(=O)=O)C)NC(C1=C(C=C(C=C1)Cl)N(=O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929764