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N,N-Dimethyl-2,4,5-trinitroaniline

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

N,N-Dimethyl-2,4,5-trinitroaniline
SpectraBase Compound ID 6Nd4KjWPBlS
InChI InChI=1S/C8H8N4O6/c1-9(2)5-3-7(11(15)16)8(12(17)18)4-6(5)10(13)14/h3-4H,1-2H3
InChIKey OHNAUHFHKICQEB-UHFFFAOYSA-N
Mol Weight 256.17 g/mol
Molecular Formula C8H8N4O6
Exact Mass 256.044384 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BOFmf5uIjx9
Name N,N-Dimethyl-2,4,5-trinitroaniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.044383988 u
Formula C8H8N4O6
InChI InChI=1S/C8H8N4O6/c1-9(2)5-3-7(11(15)16)8(12(17)18)4-6(5)10(13)14/h3-4H,1-2H3
InChIKey OHNAUHFHKICQEB-UHFFFAOYSA-N
Molecular Weight 256.174 g/mol
SMILES N(=O)(=O)C=1C(=CC(=C(C1)N(=O)=O)N(=O)=O)N(C)C
Spectrum/Structure Validation Score (Raman) 0.854539