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Trinitrodiphenylamine I

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Trinitrodiphenylamine I
SpectraBase Compound ID HpVV7XmrKRA
InChI InChI=1S/C12H8N4O6/c17-14(18)9-3-1-8(2-4-9)13-11-6-5-10(15(19)20)7-12(11)16(21)22/h1-7,13H
InChIKey MQZAHSOZWFOSGD-UHFFFAOYSA-N
Mol Weight 304.22 g/mol
Molecular Formula C12H8N4O6
Exact Mass 304.044384 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HXJlT67ZxAk
Name Trinitrodiphenylamine I
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.044383988 u
Formula C12H8N4O6
InChI InChI=1S/C12H8N4O6/c17-14(18)9-3-1-8(2-4-9)13-11-6-5-10(15(19)20)7-12(11)16(21)22/h1-7,13H
InChIKey MQZAHSOZWFOSGD-UHFFFAOYSA-N
Molecular Weight 304.218 g/mol
SMILES C=1(C(=CC(=CC1)[N+](=O)[O-])[N+](=O)[O-])NC=1C=CC(=CC1)[N+](=O)[O-]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916078