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N,N'-(2-Methyl-1,3-phenylene)bis(4-nitrobenzamide)

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

N,N'-(2-Methyl-1,3-phenylene)bis(4-nitrobenzamide)
SpectraBase Compound ID 7DLLE4qlK8V
InChI InChI=1S/C21H16N4O6/c1-13-18(22-20(26)14-5-9-16(10-6-14)24(28)29)3-2-4-19(13)23-21(27)15-7-11-17(12-8-15)25(30)31/h2-12H,1H3,(H,22,26)(H,23,27)
InChIKey GEBZNBBJCWFBNG-UHFFFAOYSA-N
Mol Weight 420.38 g/mol
Molecular Formula C21H16N4O6
Exact Mass 420.106984 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H0jHWQphOVf
Name N,N'-(2-Methyl-1,3-phenylene)bis(4-nitrobenzamide)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.106984245 u
Formula C21H16N4O6
InChI InChI=1S/C21H16N4O6/c1-13-18(22-20(26)14-5-9-16(10-6-14)24(28)29)3-2-4-19(13)23-21(27)15-7-11-17(12-8-15)25(30)31/h2-12H,1H3,(H,22,26)(H,23,27)
InChIKey GEBZNBBJCWFBNG-UHFFFAOYSA-N
Molecular Weight 420.381 g/mol
SMILES N(c1cccc(c1C)NC(=O)c1ccc(cc1)N(=O)=O)C(=O)c1ccc(cc1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930278