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Dimethyl 2,6-dimethyl-4-(4',5'-dihydro-4'-oxo-benzothieno[3,2-b]thiopyran-3'-yl)pyridine-3,5-dicarboxylate
SpectraBase Compound ID 3bU0SuClGye
InChI InChI=1S/C22H17NO5S2/c1-10-15(21(25)27-3)17(16(11(2)23-10)22(26)28-4)13-9-29-19-12-7-5-6-8-14(12)30-20(19)18(13)24/h5-9H,1-4H3
InChIKey DPFLXEDTLRXUAU-UHFFFAOYSA-N
Mol Weight 439.5 g/mol
Molecular Formula C22H17NO5S2
Exact Mass 439.054815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tYmGPOJv2R
Name Dimethyl 2,6-dimethyl-4-(4',5'-dihydro-4'-oxo-benzothieno[3,2-b]thiopyran-3'-yl)pyridine-3,5-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C22H17NO5S2
InChI InChI=1S/C22H17NO5S2/c1-10-15(21(25)27-3)17(16(11(2)23-10)22(26)28-4)13-9-29-19-12-7-5-6-8-14(12)30-20(19)18(13)24/h5-9H,1-4H3
InChIKey DPFLXEDTLRXUAU-UHFFFAOYSA-N
Molecular Weight 439.500 g/mol
SMILES c12c(SC=C(C2=O)c2c(c(C)nc(c2C(=O)OC)C)C(=O)OC)c2ccccc2s1
SPLASH splash10-001i-0009000000-d9353fee8df5b9018a05
Source of Spectrum D8-323-855-4
Wiley ID 1513777