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N-(2,4-dinitrophenyl)-3,4-xylidine

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

N-(2,4-dinitrophenyl)-3,4-xylidine
SpectraBase Compound ID LoEWHdsmHsC
InChI InChI=1S/C14H13N3O4/c1-9-3-4-11(7-10(9)2)15-13-6-5-12(16(18)19)8-14(13)17(20)21/h3-8,15H,1-2H3
InChIKey PMTPQTPINWFQCM-UHFFFAOYSA-N
Mol Weight 287.27 g/mol
Molecular Formula C14H13N3O4
Exact Mass 287.090606 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IaGqlHamzM
Name N-(2,4-Dinitrophenyl)-3,4-xylidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.090605907 u
Formula C14H13N3O4
InChI InChI=1S/C14H13N3O4/c1-9-3-4-11(7-10(9)2)15-13-6-5-12(16(18)19)8-14(13)17(20)21/h3-8,15H,1-2H3
InChIKey PMTPQTPINWFQCM-UHFFFAOYSA-N
Molecular Weight 287.275 g/mol
SMILES N(C=1C=CC(=CC1N(=O)=O)N(=O)=O)C=1C=CC(=C(C1)C)C
Spectrum/Structure Validation Score (Raman) 0.97209