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4-[(5-METHYL-2-METHYLSULFANYL-6-OXO-1,6-DIHYDROPYRIMIDIN-1-YL)-METHYL]-ISOXAZOLE-3-CARBOXAMIDE
SpectraBase Compound ID 9C0Imc8lUzJ
InChI InChI=1S/C11H12N4O3S/c1-6-3-13-11(19-2)15(10(6)17)4-7-5-18-14-8(7)9(12)16/h3,5H,4H2,1-2H3,(H2,12,16)
InChIKey QAJGWLVXLPTZSJ-UHFFFAOYSA-N
Mol Weight 280.3 g/mol
Molecular Formula C11H12N4O3S
Exact Mass 280.063011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7xeV5ZiuQF
Name 4-[(5-METHYL-2-METHYLSULFANYL-6-OXO-1,6-DIHYDROPYRIMIDIN-1-YL)-METHYL]-ISOXAZOLE-3-CARBOXAMIDE
Compound Number 4 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N4O3S
InChI InChI=1S/C11H12N4O3S/c1-6-3-13-11(19-2)15(10(6)17)4-7-5-18-14-8(7)9(12)16/h3,5H,4H2,1-2H3,(H2,12,16)
InChIKey QAJGWLVXLPTZSJ-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 280.301 g/mol
Solvent DMSO-D6
Source File Reference UWRU11235