bis[4-Diethylamino-3-nitropheny]lsulfone

SpectraBase Compound ID	6aoZ4cpchVj
InChI	InChI=1S/C20H26N4O6S/c1-5-21(6-2)17-11-9-15(13-19(17)23(25)26)31(29,30)16-10-12-18(22(7-3)8-4)20(14-16)24(27)28/h9-14H,5-8H2,1-4H3
InChIKey	YRZVILSHWYXTJJ-UHFFFAOYSA-N Google Search
Mol Weight	450.51 g/mol
Molecular Formula	C20H26N4O6S
Exact Mass	450.157306 g/mol

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SpectraBase Spectrum ID	o3kUflddry
Name	bis[4-Diethylamino-3-nitropheny]lsulfone
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	450.157305741 u
Formula	C20H26N4O6S
InChI	InChI=1S/C20H26N4O6S/c1-5-21(6-2)17-11-9-15(13-19(17)23(25)26)31(29,30)16-10-12-18(22(7-3)8-4)20(14-16)24(27)28/h9-14H,5-8H2,1-4H3
InChIKey	YRZVILSHWYXTJJ-UHFFFAOYSA-N
Molecular Weight	450.510 g/mol
SMILES	C1(N(=O)=O)=CC(S(C2=CC=C(C(=C2)N(=O)=O)N(CC)CC)(=O)=O)=CC=C1N(CC)CC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.93432