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Benzenemethanamine, N-(4-nitrophenyl)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

Benzenemethanamine, N-(4-nitrophenyl)-
SpectraBase Compound ID 18QGrV4gaFa
InChI InChI=1S/C13H12N2O2/c16-15(17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKey QBSRKOBMKFOHOS-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C13H12N2O2
Exact Mass 228.089878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 187reCLuv8O
Name Benzenemethanamine, N-(4-nitrophenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.089877632 u
Formula C13H12N2O2
InChI InChI=1S/C13H12N2O2/c16-15(17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKey QBSRKOBMKFOHOS-UHFFFAOYSA-N
Molecular Weight 228.251 g/mol
SMILES C1(N(=O)=O)=CC=C(NCC2=CC=CC=C2)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920933