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4-[2-(5-METHYL-2-METHYLSULFANYL-6-OXO-1,6-DIHYDROPYRIMIDIN-1-YL)-ETHYL]-5-PYRROLIDINO-4,5-DIHYDROISOXAZOLE-3-CARBOXYLIC-ACID-ETHYLESTER

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4-[2-(5-METHYL-2-METHYLSULFANYL-6-OXO-1,6-DIHYDROPYRIMIDIN-1-YL)-ETHYL]-5-PYRROLIDINO-4,5-DIHYDROISOXAZOLE-3-CARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID 4OIaiP47NVO
InChI InChI=1S/C18H26N4O4S/c1-4-25-17(24)14-13(16(26-20-14)21-8-5-6-9-21)7-10-22-15(23)12(2)11-19-18(22)27-3/h11,13,16H,4-10H2,1-3H3
InChIKey VXEZJYQIXLTMBK-UHFFFAOYSA-N
Mol Weight 394.49 g/mol
Molecular Formula C18H26N4O4S
Exact Mass 394.167477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fuu3mgLXuuW
Name 4-[2-(5-METHYL-2-METHYLSULFANYL-6-OXO-1,6-DIHYDROPYRIMIDIN-1-YL)-ETHYL]-5-PYRROLIDINO-4,5-DIHYDROISOXAZOLE-3-CARBOXYLIC-ACID-ETHYLESTER
Compound Number 40
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26N4O4S
InChI InChI=1S/C18H26N4O4S/c1-4-25-17(24)14-13(16(26-20-14)21-8-5-6-9-21)7-10-22-15(23)12(2)11-19-18(22)27-3/h11,13,16H,4-10H2,1-3H3
InChIKey VXEZJYQIXLTMBK-UHFFFAOYSA-N
Literature Reference Author C.PEREZ,Y.L.JANIN,D.R.ADAMS,C.MONNERET,D.S.GRIERSON
Literature Reference Citation J.CHEM.SOC.PERKIN-1,901(1997)
Literature Reference DOI 10.1039/a605995c
Molecular Weight 394.489 g/mol
Solvent CDCl3
Source File Reference UWRU11228