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Dimethyl 6,6-Dimethyl-6,7-dihydro-1-methylthio-8H-8-oxobenzothiapyran-3,4-dicarboxylate
SpectraBase Compound ID 3OJ3783amtA
InChI InChI=1S/C16H18O5S2/c1-16(2)6-8-10(9(17)7-16)15(22-5)23-12(14(19)21-4)11(8)13(18)20-3/h6H,7H2,1-5H3
InChIKey UPTXGZWGZVZFLL-UHFFFAOYSA-N
Mol Weight 354.44 g/mol
Molecular Formula C16H18O5S2
Exact Mass 354.059566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ON5XYg831z
Name Dimethyl 6,6-Dimethyl-6,7-dihydro-1-methylthio-8H-8-oxobenzothiapyran-3,4-dicarboxylate
Alternate Name(s) Dimethyl 6,7-dihydro-8H-6,6-dimethyl-1-methylthio-8-oxobenothiapyran-3,4-dicarboxylate 6,6-Dimethyl-1-(methylthio)-8-oxo-7H-2-benzothiopyran-3,4-dicarboxylic acid dimethyl ester Dimethyl 6,6-dimethyl-1-methylsulfanyl-8-oxo-7H-isothiochromene-3,4-dicarboxylate Dimethyl 6,6-dimethyl-1-methylsulfanyl-8-oxidanylidene-7H-isothiochromene-3,4-dicarboxylate
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Formula C16H18O5S2
InChI InChI=1S/C16H18O5S2/c1-16(2)6-8-10(9(17)7-16)15(22-5)23-12(14(19)21-4)11(8)13(18)20-3/h6H,7H2,1-5H3
InChIKey UPTXGZWGZVZFLL-UHFFFAOYSA-N
Molecular Weight 354.435 g/mol
SMILES C=1(C=2C(C(=O)CC(C2)(C)C)=C(SC1C(=O)OC)SC)C(=O)OC
SPLASH splash10-000i-0009000000-1b224beccddc1354d7c3
Source of Spectrum Y-28-1251-10
Wiley ID 1344321