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4-[2-(5-METHYL-2-METHYLSULFANYL-6-OXO-1,6-DIHYDROPYRIMIDIN-1-YL)-ETHYL]-ISOXAZOLE-3-CARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID 7c946WyQLJs
InChI InChI=1S/C14H17N3O4S/c1-4-20-13(19)11-10(8-21-16-11)5-6-17-12(18)9(2)7-15-14(17)22-3/h7-8H,4-6H2,1-3H3
InChIKey FISHCHSEGCNNFU-UHFFFAOYSA-N
Mol Weight 323.37 g/mol
Molecular Formula C14H17N3O4S
Exact Mass 323.093977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7mOCLLfVNkS
Name 4-[2-(5-METHYL-2-METHYLSULFANYL-6-OXO-1,6-DIHYDROPYRIMIDIN-1-YL)-ETHYL]-ISOXAZOLE-3-CARBOXYLIC-ACID-ETHYLESTER
Compound Number 50
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17N3O4S
InChI InChI=1S/C14H17N3O4S/c1-4-20-13(19)11-10(8-21-16-11)5-6-17-12(18)9(2)7-15-14(17)22-3/h7-8H,4-6H2,1-3H3
InChIKey FISHCHSEGCNNFU-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 323.367 g/mol
Solvent CDCl3
Source File Reference UWRU11236