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S-3-nitrophenyl 4-methylbenzenesulfonothioate
SpectraBase Compound ID L44H79uYyhe
InChI InChI=1S/C13H11NO4S2/c1-10-5-7-13(8-6-10)20(17,18)19-12-4-2-3-11(9-12)14(15)16/h2-9H,1H3
InChIKey LKEMROIYOZJMOP-UHFFFAOYSA-N
Mol Weight 309.35 g/mol
Molecular Formula C13H11NO4S2
Exact Mass 309.01295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34uBXJxWAS
Name S-3-nitrophenyl 4-methylbenzenesulfonothioate
Alternate Name(s) S-(3-nitrophenyl) 4-methylbenzenesulfonothioate
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Formula C13H11NO4S2
InChI InChI=1S/C13H11NO4S2/c1-10-5-7-13(8-6-10)20(17,18)19-12-4-2-3-11(9-12)14(15)16/h2-9H,1H3
InChIKey LKEMROIYOZJMOP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201200028
Molecular Weight 309.354 g/mol
SMILES c1(ccc(C)cc1)S(Sc1cccc(c1)[N+](=O)[O-])(=O)=O
SPLASH splash10-0a4l-9700000000-d0b23778c65116623dd7
Source of Spectrum CJC-30-1612-3be
Wiley ID 1772756