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S-PROPYL_5-METHYL-7-OXO-5-[5-(PROPYLSULFANYLCARBONYL)-PYRIDIN-2-YL]-5,7-DIHYDROFURO-[3.4-B]-PYRIDINE-2-CARBOTHIOATE
SpectraBase Compound ID EcNcleXYIUT
InChI InChI=1S/C21H22N2O4S2/c1-4-11-28-19(25)14-7-6-8-16(22-14)21(3)13-9-10-15(20(26)29-12-5-2)23-17(13)18(24)27-21/h6-10H,4-5,11-12H2,1-3H3
InChIKey UVUYFKJHIHYSQX-UHFFFAOYSA-N
Mol Weight 430.54 g/mol
Molecular Formula C21H22N2O4S2
Exact Mass 430.1021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Gw3F6KToPQ
Name S-PROPYL_5-METHYL-7-OXO-5-[5-(PROPYLSULFANYLCARBONYL)-PYRIDIN-2-YL]-5,7-DIHYDROFURO-[3.4-B]-PYRIDINE-2-CARBOTHIOATE
Compound Number 4J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O4S2
InChI InChI=1S/C21H22N2O4S2/c1-4-11-28-19(25)14-7-6-8-16(22-14)21(3)13-9-10-15(20(26)29-12-5-2)23-17(13)18(24)27-21/h6-10H,4-5,11-12H2,1-3H3
InChIKey UVUYFKJHIHYSQX-UHFFFAOYSA-N
Literature Reference Author R.D.WEBSTER,A.M.BOND,T.SCHMIDT
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1365(1995)
Literature Reference DOI 10.1039/p29950001365
Molecular Weight 430.537 g/mol
Solvent DMSO-D6
Source File Reference UWMZ2794