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5-Methyl-2-nitro-N-(phenylmethyl)aniline

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

5-Methyl-2-nitro-N-(phenylmethyl)aniline
SpectraBase Compound ID 7hdSmZkDWVG
InChI InChI=1S/C14H14N2O2/c1-11-7-8-14(16(17)18)13(9-11)15-10-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3
InChIKey AHAKVOANXGYSJX-UHFFFAOYSA-N
Mol Weight 242.28 g/mol
Molecular Formula C14H14N2O2
Exact Mass 242.105528 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5hE2TKDPjfs
Name 5-Methyl-2-nitro-N-(phenylmethyl)aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.105527697 u
Formula C14H14N2O2
InChI InChI=1S/C14H14N2O2/c1-11-7-8-14(16(17)18)13(9-11)15-10-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3
InChIKey AHAKVOANXGYSJX-UHFFFAOYSA-N
Molecular Weight 242.278 g/mol
SMILES C=1(N(=O)=O)C(NCC=2C=CC=CC2)=CC(=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932568