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Benzamide, 4-nitro-N-(4-bromo-2-methylphenyl)-

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

Benzamide, 4-nitro-N-(4-bromo-2-methylphenyl)-
SpectraBase Compound ID 97bKDU4cbPE
InChI InChI=1S/C14H11BrN2O3/c1-9-8-11(15)4-7-13(9)16-14(18)10-2-5-12(6-3-10)17(19)20/h2-8H,1H3,(H,16,18)
InChIKey GHMCYASVFGRWAV-UHFFFAOYSA-N
Mol Weight 335.16 g/mol
Molecular Formula C14H11BrN2O3
Exact Mass 333.995305 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CtPSGtMrO5A
Name Benzamide, 4-nitro-N-(4-bromo-2-methylphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.995305219 u
Formula C14H11BrN2O3
InChI InChI=1S/C14H11BrN2O3/c1-9-8-11(15)4-7-13(9)16-14(18)10-2-5-12(6-3-10)17(19)20/h2-8H,1H3,(H,16,18)
InChIKey GHMCYASVFGRWAV-UHFFFAOYSA-N
Molecular Weight 335.157 g/mol
SMILES CC1=C(NC(C2=CC=C(N(=O)=O)C=C2)=O)C=CC(Br)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897501