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Phenol, 2-(methylthio)-5-nitro-, methanesulfonate (ester)
SpectraBase Compound ID I9ob5HpC9Zo
InChI InChI=1S/C8H9NO5S2/c1-15-8-4-3-6(9(10)11)5-7(8)14-16(2,12)13/h3-5H,1-2H3
InChIKey AWLVTDZNKMXDJX-UHFFFAOYSA-N
Mol Weight 263.28 g/mol
Molecular Formula C8H9NO5S2
Exact Mass 262.992215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQTZGnXT1Gw
Name Phenol, 2-(methylthio)-5-nitro-, methanesulfonate (ester)
Alternate Name(s) 2-(methylthio)-5-nitrophenyl methanesulfonate 2-(methylsulfanyl)-5-nitrophenyl methanesulfonate Methanesulfonic acid [2-(methylthio)-5-nitrophenyl] ester (2-methylsulfanyl-5-nitrophenyl) methanesulfonate (2-methylsulfanyl-5-nitro-phenyl) methanesulfonate
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Formula C8H9NO5S2
InChI InChI=1S/C8H9NO5S2/c1-15-8-4-3-6(9(10)11)5-7(8)14-16(2,12)13/h3-5H,1-2H3
InChIKey AWLVTDZNKMXDJX-UHFFFAOYSA-N
Molecular Weight 263.282 g/mol
SMILES CSc1ccc(cc1OS(C)(=O)=O)[N+]([O-])=O
SPLASH splash10-001s-7910000000-c1b22b2bcb72583836c8
Source of Spectrum JX-2015-2-211
Wiley ID 1721953