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2H-Thiopyran-2,2-dicarboxylic Acid, 3,6-Dihydro-3,5dimethyl-, Diethyl Ester
SpectraBase Compound ID 4DOE3K1oNhz
InChI InChI=1S/C13H20O4S/c1-5-16-11(14)13(12(15)17-6-2)10(4)7-9(3)8-18-13/h7,10H,5-6,8H2,1-4H3
InChIKey PAAWNPMDTYCXCN-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C13H20O4S
Exact Mass 272.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcFaOqvofKA
Name 2H-Thiopyran-2,2-dicarboxylic Acid, 3,6-Dihydro-3,5dimethyl-, Diethyl Ester
Alternate Name(s) Diethyl 3,5-dimethyl-3,6-dihydro-2H-thiopyran-2,2-dicarboxylate
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Formula C13H20O4S
InChI InChI=1S/C13H20O4S/c1-5-16-11(14)13(12(15)17-6-2)10(4)7-9(3)8-18-13/h7,10H,5-6,8H2,1-4H3
InChIKey PAAWNPMDTYCXCN-UHFFFAOYSA-N
Molecular Weight 272.359 g/mol
SMILES C1(SCC(=CC1C)C)(C(=O)OCC)C(=O)OCC
SPLASH splash10-00c0-0930000000-7d5427b6ad59b028fec7
Source of Spectrum J-61-4732-2
Wiley ID 1275870