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4-[(5-METHYL-2-METHYLSULFANYL-6-OXO-1,6-DIHYDROPYRIMIDIN-1-YL)-METHYL]-ISOXAZOLE-3-CARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID GhU73yDB0Re
InChI InChI=1S/C13H15N3O4S/c1-4-19-12(18)10-9(7-20-15-10)6-16-11(17)8(2)5-14-13(16)21-3/h5,7H,4,6H2,1-3H3
InChIKey FTLJIEMIYSBUGS-UHFFFAOYSA-N
Mol Weight 309.34 g/mol
Molecular Formula C13H15N3O4S
Exact Mass 309.078327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LrSznkg7Lqg
Name 4-[(5-METHYL-2-METHYLSULFANYL-6-OXO-1,6-DIHYDROPYRIMIDIN-1-YL)-METHYL]-ISOXAZOLE-3-CARBOXYLIC-ACID-ETHYLESTER
Compound Number 47
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15N3O4S
InChI InChI=1S/C13H15N3O4S/c1-4-19-12(18)10-9(7-20-15-10)6-16-11(17)8(2)5-14-13(16)21-3/h5,7H,4,6H2,1-3H3
InChIKey FTLJIEMIYSBUGS-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 309.340 g/mol
Solvent CDCl3
Source File Reference UWRU11233