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6,6-Dimethyl-3-(methylthio)-1-nitro-5,7-dihydro-2-benzothiophen-4-one
SpectraBase Compound ID 9O2Mib79J4F
InChI InChI=1S/C11H13NO3S2/c1-11(2)4-6-8(7(13)5-11)10(16-3)17-9(6)12(14)15/h4-5H2,1-3H3
InChIKey ATTYRDMBESHFEY-UHFFFAOYSA-N
Mol Weight 271.35 g/mol
Molecular Formula C11H13NO3S2
Exact Mass 271.033686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqpxqITRiFc
Name 6,6-Dimethyl-3-(methylthio)-1-nitro-5,7-dihydro-2-benzothiophen-4-one
Alternate Name(s) 6,6-Dimethyl-3-(methylthio)-1-nitro-5,7-dihydroisobenzothiophen-4-one 6,6-Dimethyl-3-methylsulfanyl-1-nitro-5,7-dihydro-2-benzothiophen-4-one
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Formula C11H13NO3S2
InChI InChI=1S/C11H13NO3S2/c1-11(2)4-6-8(7(13)5-11)10(16-3)17-9(6)12(14)15/h4-5H2,1-3H3
InChIKey ATTYRDMBESHFEY-UHFFFAOYSA-N
Molecular Weight 271.349 g/mol
SMILES c1(c2c(C(=O)CC(C2)(C)C)c(s1)SC)N(=O)=O
SPLASH splash10-00du-9750000000-c2b56ef70cde27ba7a09
Wiley ID 1446534