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N-(2,4-dinitrophenyl)-o-toluidine

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, 1 UV-Vis, and 3 MS (GC)

N-(2,4-dinitrophenyl)-o-toluidine
SpectraBase Compound ID 3jqSm3b0Amu
InChI InChI=1S/C13H11N3O4/c1-9-4-2-3-5-11(9)14-12-7-6-10(15(17)18)8-13(12)16(19)20/h2-8,14H,1H3
InChIKey OPGDEODYIMUSCO-UHFFFAOYSA-N
Mol Weight 273.25 g/mol
Molecular Formula C13H11N3O4
Exact Mass 273.074956 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID G0V18y6zPf3
Name N-(2,4-Dinitrophenyl)-o-toluidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.074955842 u
Formula C13H11N3O4
InChI InChI=1S/C13H11N3O4/c1-9-4-2-3-5-11(9)14-12-7-6-10(15(17)18)8-13(12)16(19)20/h2-8,14H,1H3
InChIKey OPGDEODYIMUSCO-UHFFFAOYSA-N
Molecular Weight 273.248 g/mol
SMILES N(C=1C(=CC=CC1)C)C=1C=CC(=CC1N(=O)=O)N(=O)=O
Spectrum/Structure Validation Score (Raman) 0.964379