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S-3-nitrophenyl-4-fluorobenzenesulfonothioate
SpectraBase Compound ID 1EQDX7nmvXw
InChI InChI=1S/C12H8FNO4S2/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 KXXDNFCTUJUOLW-UHFFFAOYSA-N
Mol Weight 313.32 g/mol
Molecular Formula C12H8FNO4S2
Exact Mass 312.987878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BW4QtzU6Rjo
Name S-3-nitrophenyl-4-fluorobenzenesulfonothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8FNO4S2
InChI InChI=1S/C12H8FNO4S2/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 KXXDNFCTUJUOLW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201200028
Molecular Weight 313.317 g/mol
SMILES c1(ccc(F)cc1)S(Sc1cc(ccc1)[N+](=O)[O-])(=O)=O
SPLASH splash10-0a4j-6901000000-4095ab0f214ac2e2c801
Source of Spectrum CJC-30-1612-3ce
Synonyms S-(3-nitrophenyl) 4-fluorobenzenesulfonothioate
Wiley ID 1772759