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3,3'-Dinitro-4,4'-dihydroxydiphenylsulphone
SpectraBase Compound ID CObpk75YXZN
InChI InChI=1S/C12H8N2O8S/c15-11-3-1-7(5-9(11)13(17)18)23(21,22)8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H
InChIKey VKCVEIUNYZTNAK-UHFFFAOYSA-N
Mol Weight 340.26 g/mol
Molecular Formula C12H8N2O8S
Exact Mass 340.000136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5q3jV5burC2
Name 3,3'-Dinitro-4,4'-dihydroxydiphenylsulphone
Alternate Name(s) 3,3'-Dinitro-4,4'-dihydroxydiphenylsulfone 4-[(4-hydroxy-3-nitrophenyl)sulfonyl]-2-nitrophenol
CAS Registry Number 7149-20-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N2O8S
InChI InChI=1S/C12H8N2O8S/c15-11-3-1-7(5-9(11)13(17)18)23(21,22)8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H
InChIKey VKCVEIUNYZTNAK-UHFFFAOYSA-N
Molecular Weight 340.262 g/mol
SMILES Oc1c(cc(S(c2ccc(c(c2)N(=O)=O)O)(=O)=O)cc1)N(=O)=O
SPLASH splash10-0006-9402000000-0f457922e2ebdcd73760
Source of Spectrum W5-1989-13270-1
Wiley ID 1334802