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1-(Methylsulfanyl)-2-[2-(methylsulfanyl)ethynyl]-4-nitrobenzene
SpectraBase Compound ID 6rjwTYnwnZV
InChI InChI=1S/C10H9NO2S2/c1-14-6-5-8-7-9(11(12)13)3-4-10(8)15-2/h3-4,7H,1-2H3
InChIKey GRMFKJMUSIFDJG-UHFFFAOYSA-N
Mol Weight 239.31 g/mol
Molecular Formula C10H9NO2S2
Exact Mass 239.007471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dkRVtWr7aX
Name 1-(Methylsulfanyl)-2-[2-(methylsulfanyl)ethynyl]-4-nitrobenzene
Alternate Name(s) Methyl((2-(methylthio)-5-nitrophenyl)ethynyl)sulfane 1-(methylthio)-2-[2-(methylthio)ethynyl]-4-nitrobenzene 1-Methylsulfanyl-2-(2-methylsulfanylethynyl)-4-nitrobenzene 1-Methylsulfanyl-2-(2-methylsulfanylethynyl)-4-nitro-benzene
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Formula C10H9NO2S2
InChI InChI=1S/C10H9NO2S2/c1-14-6-5-8-7-9(11(12)13)3-4-10(8)15-2/h3-4,7H,1-2H3
InChIKey GRMFKJMUSIFDJG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol401981w
Molecular Weight 239.307 g/mol
SMILES c1([N+](=O)[O-])cc(C#CSC)c(cc1)SC
SPLASH splash10-001v-7920000000-7ead947edf8dde503040
Source of Spectrum A1-15-4038/SMS5-7
Wiley ID 1749017