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Dimethyl 2,6-dimethyl-4-(4',5'-dihydro-4'-oxo-benzofuro[3,2-b]thiopyran-3'-yl)pyridine-3,5-dicarboxylate
SpectraBase Compound ID JaaOE4hfBGt
InChI InChI=1S/C22H17NO6S/c1-10-15(21(25)27-3)17(16(11(2)23-10)22(26)28-4)13-9-30-20-12-7-5-6-8-14(12)29-19(20)18(13)24/h5-9H,1-4H3
InChIKey DYYOUZZDJNKUGL-UHFFFAOYSA-N
Mol Weight 423.44 g/mol
Molecular Formula C22H17NO6S
Exact Mass 423.077658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JeeVmk0sx9
Name Dimethyl 2,6-dimethyl-4-(4',5'-dihydro-4'-oxo-benzofuro[3,2-b]thiopyran-3'-yl)pyridine-3,5-dicarboxylate
Alternate Name(s) dimethyl 2,6-dimethyl-4-(4-oxo-4H-thiino[3,2-b][1]benzofuran-3-yl)-3,5-pyridinedicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C22H17NO6S
InChI InChI=1S/C22H17NO6S/c1-10-15(21(25)27-3)17(16(11(2)23-10)22(26)28-4)13-9-30-20-12-7-5-6-8-14(12)29-19(20)18(13)24/h5-9H,1-4H3
InChIKey DYYOUZZDJNKUGL-UHFFFAOYSA-N
Molecular Weight 423.439 g/mol
SMILES c12c(SC=C(C2=O)c2c(c(C)nc(c2C(=O)OC)C)C(=O)OC)c2ccccc2o1
SPLASH splash10-03di-0009000000-5602a6b12f49144d6c61
Source of Spectrum D8-323-855-4
Wiley ID 1513778