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2,3-Bis(methoxycarbonyl)-5(Z)-[[1,2-bis(methoxycarbonyl)vinyl]thio]-7,7-dimethyl-7,8-dihydrobenzo[b]thiopyran-4-one
SpectraBase Compound ID Km8aPBB9NNc
InChI InChI=1S/C21H22O9S2/c1-21(2)8-11(31-10(18(24)28-4)7-13(22)27-3)14-12(9-21)32-17(20(26)30-6)15(16(14)23)19(25)29-5/h7-8H,9H2,1-6H3/b10-7+
InChIKey ALQUNXHTILXQEJ-JXMROGBWSA-N
Mol Weight 482.52 g/mol
Molecular Formula C21H22O9S2
Exact Mass 482.070525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZN7dN2jleF
Name 2,3-Bis(methoxycarbonyl)-5(Z)-[[1,2-bis(methoxycarbonyl)vinyl]thio]-7,7-dimethyl-7,8-dihydrobenzo[b]thiopyran-4-one
Alternate Name(s) Dimethyl 5-{[(1E)-3-methoxy-1-(methoxycarbonyl)-3-oxo-1-propenyl]sulfanyl}-7,7-dimethyl-4-oxo-7,8-dihydro-4H-1-benzothiopyran-2,3-dicarboxylate
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Formula C21H22O9S2
InChI InChI=1S/C21H22O9S2/c1-21(2)8-11(31-10(18(24)28-4)7-13(22)27-3)14-12(9-21)32-17(20(26)30-6)15(16(14)23)19(25)29-5/h7-8H,9H2,1-6H3/b10-7+
InChIKey ALQUNXHTILXQEJ-JXMROGBWSA-N
Molecular Weight 482.518 g/mol
SMILES C1(=C(SC2=C(C1=O)C(S\C(=C\C(=O)OC)C(=O)OC)=CC(C)(C)C2)C(=O)OC)C(=O)OC
SPLASH splash10-001i-8000900000-497fd0a4895f0287707a
Source of Spectrum J-56-4925-13
Wiley ID 1395526