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4'-Bromo-2,4-dinitrodiphenylamine
SpectraBase Compound ID LQADe5gSRcM
InChI InChI=1S/C12H8BrN3O4/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(17)18)7-12(11)16(19)20/h1-7,14H
InChIKey CSJQUFZYIASQTA-UHFFFAOYSA-N
Mol Weight 338.12 g/mol
Molecular Formula C12H8BrN3O4
Exact Mass 336.969819 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 77axDEYXmGw
Name 4'-Bromo-2,4-dinitrodiphenylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.969818746 u
Formula C12H8BrN3O4
InChI InChI=1S/C12H8BrN3O4/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(17)18)7-12(11)16(19)20/h1-7,14H
InChIKey CSJQUFZYIASQTA-UHFFFAOYSA-N
Molecular Weight 338.117 g/mol
SMILES N(C=1C=CC(=CC1)Br)C=1C(=CC(=CC1)N(=O)=O)N(=O)=O
Spectrum/Structure Validation Score (Raman) 0.974316