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N-Benzyl 2-bromo-4-nitroaniline

View entire compound with spectra: 1 FTIR

N-Benzyl 2-bromo-4-nitroaniline
SpectraBase Compound ID EQR0OJmRZHf
InChI InChI=1S/C13H11BrN2O2/c14-12-8-11(16(17)18)6-7-13(12)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKey KFZNBRDIUGUIKO-UHFFFAOYSA-N
Mol Weight 307.15 g/mol
Molecular Formula C13H11BrN2O2
Exact Mass 306.000391 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 78Z7C3gtjQJ
Name N-Benzyl 2-bromo-4-nitroaniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.000390600 u
Formula C13H11BrN2O2
InChI InChI=1S/C13H11BrN2O2/c14-12-8-11(16(17)18)6-7-13(12)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKey KFZNBRDIUGUIKO-UHFFFAOYSA-N
Molecular Weight 307.147 g/mol
SMILES C(NC1=C(Br)C=C(C=C1)N(=O)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963269