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Dimethyl-{2,6-dimethyl-4-(4'-oxo-4H-benzofuro[3,2-b]thiopyran-2'-yl)}pyridine-3,5-dicarboxylate
SpectraBase Compound ID FBolQpdtytR
InChI InChI=1S/C22H17NO6S/c1-10-16(21(25)27-3)18(17(11(2)23-10)22(26)28-4)15-9-13(24)19-20(30-15)12-7-5-6-8-14(12)29-19/h5-9H,1-4H3
InChIKey IJSKLLUEIQZHFV-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 G2i2CDQJECA
Name Dimethyl-{2,6-dimethyl-4-(4'-oxo-4H-benzofuro[3,2-b]thiopyran-2'-yl)}pyridine-3,5-dicarboxylate
Alternate Name(s) Dimethyl 1,4-dihydro-2,6-dimethyl-4-(4'-oxo-4H-benzofuro[3,2-b]thiopyran-2'-yl)pyridine-3,5-dicarboxylate dimethyl 2,6-dimethyl-4-(4-oxo-4H-thiino[3,2-b][1]benzofuran-2-yl)-3,5-pyridinedicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C22H17NO6S
InChI InChI=1S/C22H17NO6S/c1-10-16(21(25)27-3)18(17(11(2)23-10)22(26)28-4)15-9-13(24)19-20(30-15)12-7-5-6-8-14(12)29-19/h5-9H,1-4H3
InChIKey IJSKLLUEIQZHFV-UHFFFAOYSA-N
Molecular Weight 423.439 g/mol
SMILES c12c(oc3c2cccc3)C(=O)C=C(S1)c1c(c(C)nc(c1C(=O)OC)C)C(=O)OC
SPLASH splash10-00di-0050900000-467398bf775ddb8b6158
Source of Spectrum D8-323-856-9
Wiley ID 1513769