4',4'''-sulfonylbis[2,4,6-trinitrodiphenylamine]

SpectraBase Compound ID	3soHmShH6Yq
InChI	InChI=1S/C24H14N8O14S/c33-27(34)15-9-19(29(37)38)23(20(10-15)30(39)40)25-13-1-5-17(6-2-13)47(45,46)18-7-3-14(4-8-18)26-24-21(31(41)42)11-16(28(35)36)12-22(24)32(43)44/h1-12,25-26H
InChIKey	UVKHBEXPZGDPBX-UHFFFAOYSA-N Google Search
Mol Weight	670.48 g/mol
Molecular Formula	C24H14N8O14S
Exact Mass	670.035018 g/mol

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SpectraBase Spectrum ID	9RV5bK2TodS
Name	4',4'''-sulfonylbis[2,4,6-trinitrodiphenylamine]
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	670.035018323 u
Formula	C24H14N8O14S
InChI	InChI=1S/C24H14N8O14S/c33-27(34)15-9-19(29(37)38)23(20(10-15)30(39)40)25-13-1-5-17(6-2-13)47(45,46)18-7-3-14(4-8-18)26-24-21(31(41)42)11-16(28(35)36)12-22(24)32(43)44/h1-12,25-26H
InChIKey	UVKHBEXPZGDPBX-UHFFFAOYSA-N
Molecular Weight	670.478 g/mol
SMILES	N(=O)(=O)C1=CC(=CC(=C1NC1=CC=C(S(C2=CC=C(C=C2)NC=2C(=CC(=CC2N(=O)=O)N(=O)=O)N(=O)=O)(=O)=O)C=C1)N(=O)=O)N(=O)=O
Spectrum/Structure Validation Score (Raman)	0.913623