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N-(2-hydroxy-5-bromobenzylidene)-2-methyl-3-nitroaniline

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

N-(2-hydroxy-5-bromobenzylidene)-2-methyl-3-nitroaniline
SpectraBase Compound ID LQetPPFUNkX
InChI InChI=1S/C14H11BrN2O3/c1-9-12(3-2-4-13(9)17(19)20)16-8-10-7-11(15)5-6-14(10)18/h2-8,18H,1H3/b16-8+
InChIKey VRZLOCZDOZDWJY-LZYBPNLTSA-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 F6tlVSumUDS
Name N-(2-Hydroxy-5-bromobenzylidene)-2-methyl-3-nitroaniline
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/c1-9-12(3-2-4-13(9)17(19)20)16-8-10-7-11(15)5-6-14(10)18/h2-8,18H,1H3/b16-8+
InChIKey VRZLOCZDOZDWJY-LZYBPNLTSA-N
Molecular Weight 335.157 g/mol
SMILES Oc1c(\C=N\c2cccc(c2C)N(=O)=O)cc(cc1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.83389