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3,4,5-Trinitro-o-arisidine

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

3,4,5-Trinitro-o-arisidine
SpectraBase Compound ID 1n3lDDxJAVF
InChI InChI=1S/C7H6N4O7/c1-18-7-3(8)2-4(9(12)13)5(10(14)15)6(7)11(16)17/h2H,8H2,1H3
InChIKey YLWKUFJJUDKAEA-UHFFFAOYSA-N
Mol Weight 258.15 g/mol
Molecular Formula C7H6N4O7
Exact Mass 258.023649 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DXASBYSqpkr
Name 3,4,5-Trinitro-o-arisidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.023648542 u
Formula C7H6N4O7
InChI InChI=1S/C7H6N4O7/c1-18-7-3(8)2-4(9(12)13)5(10(14)15)6(7)11(16)17/h2H,8H2,1H3
InChIKey YLWKUFJJUDKAEA-UHFFFAOYSA-N
Molecular Weight 258.146 g/mol
SMILES C1(=C(N(=O)=O)C=C(C(=C1N(=O)=O)OC)N)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977231