3,4'-Dinitro-4-[4-methoxyanilino]diphenyl sulfone

SpectraBase Compound ID	CHRno57EvNi
InChI	InChI=1S/C19H15N3O7S/c1-29-15-6-2-13(3-7-15)20-18-11-10-17(12-19(18)22(25)26)30(27,28)16-8-4-14(5-9-16)21(23)24/h2-12,20H,1H3
InChIKey	UNIUISWQYLQQKY-UHFFFAOYSA-N Google Search
Mol Weight	429.4 g/mol
Molecular Formula	C19H15N3O7S
Exact Mass	429.063071 g/mol

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SpectraBase Spectrum ID	6A5ikaItZvL
Name	3,4'-Dinitro-4-[4-methoxyanilino]diphenyl sulfone
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	429.063071002 u
Formula	C19H15N3O7S
InChI	InChI=1S/C19H15N3O7S/c1-29-15-6-2-13(3-7-15)20-18-11-10-17(12-19(18)22(25)26)30(27,28)16-8-4-14(5-9-16)21(23)24/h2-12,20H,1H3
InChIKey	UNIUISWQYLQQKY-UHFFFAOYSA-N
Molecular Weight	429.403 g/mol
SMILES	C1(S(=O)(=O)C2=CC=C(C(=C2)N(=O)=O)NC2=CC=C(C=C2)OC)=CC=C(C=C1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.959738