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S-3-nitrophenyl-4-chlorobenzenesulfonothioate
SpectraBase Compound ID BxArlMVdLzg
InChI InChI=1S/C12H8ClNO4S2/c13-9-4-6-12(7-5-9)20(17,18)19-11-3-1-2-10(8-11)14(15)16/h1-8H
InChIKey LRSXSJNBBIGLNG-UHFFFAOYSA-N
Mol Weight 329.77 g/mol
Molecular Formula C12H8ClNO4S2
Exact Mass 328.958328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmeGdEaCQeN
Name S-3-nitrophenyl-4-chlorobenzenesulfonothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8ClNO4S2
InChI InChI=1S/C12H8ClNO4S2/c13-9-4-6-12(7-5-9)20(17,18)19-11-3-1-2-10(8-11)14(15)16/h1-8H
InChIKey LRSXSJNBBIGLNG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201200028
Molecular Weight 329.772 g/mol
SMILES c1(ccc(Cl)cc1)S(Sc1cccc(c1)[N+](=O)[O-])(=O)=O
SPLASH splash10-01t9-0900000000-3d6d104225c128808172
Source of Spectrum CJC-30-1613-3de
Synonyms S-(3-nitrophenyl) 4-chlorobenzenesulfonothioate
Wiley ID 1772762