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2H-thiopyran-3,5-dicarboxylic acid, 2,6-dichlorotetrahydro-4-oxo-2,6-diphenyl-, dimethyl ester
SpectraBase Compound ID 9EyOCnh3Q0n
InChI InChI=1S/C21H18Cl2O5S/c1-27-18(25)15-17(24)16(19(26)28-2)21(23,14-11-7-4-8-12-14)29-20(15,22)13-9-5-3-6-10-13/h3-12,15-16H,1-2H3
InChIKey WIRBZSYRKKZGSV-UHFFFAOYSA-N
Mol Weight 453.34 g/mol
Molecular Formula C21H18Cl2O5S
Exact Mass 452.0252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaMwISW3Rzr
Name 2H-thiopyran-3,5-dicarboxylic acid, 2,6-dichlorotetrahydro-4-oxo-2,6-diphenyl-, dimethyl ester
Alternate Name(s) Dimethyl 2,6-dichloro-4-oxo-2,6-diphenyltetrahydro-2H-thiopyran-3,5-dicarboxylate 2,6-Dichloro-4-oxo-2,6-diphenylthiane-3,5-dicarboxylic acid dimethyl ester Dimethyl 2,6-dichloro-4-oxo-2,6-diphenylthiane-3,5-dicarboxylate Dimethyl 2,6-dichloro-4-oxo-2,6-diphenyl-tetrahydrothiopyran-3,5-dicarboxylate Dimethyl 2,6-bis(chloranyl)-4-oxidanylidene-2,6-diphenyl-thiane-3,5-dicarboxylate
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Formula C21H18Cl2O5S
InChI InChI=1S/C21H18Cl2O5S/c1-27-18(25)15-17(24)16(19(26)28-2)21(23,14-11-7-4-8-12-14)29-20(15,22)13-9-5-3-6-10-13/h3-12,15-16H,1-2H3
InChIKey WIRBZSYRKKZGSV-UHFFFAOYSA-N
Molecular Weight 453.336 g/mol
SMILES COC(=O)C1C(=O)C(C(=O)OC)C(Cl)(SC1(Cl)c1ccccc1)c1ccccc1
SPLASH splash10-00di-1962100000-ef3999daac44fcd54ee0
Source of Spectrum JX-2015-4-639
Wiley ID 1726063