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4-[(3-BENZYL-5-METHYL-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-1-YL)-METHYL]-ISOXAZOLE-3-CARBOXAMIDE
SpectraBase Compound ID CbKfMbtLsDF
InChI InChI=1S/C17H16N4O4/c1-11-7-20(8-12-5-3-2-4-6-12)17(24)21(16(11)23)9-13-10-25-19-14(13)15(18)22/h2-7,10H,8-9H2,1H3,(H2,18,22)
InChIKey QLHZOYACIKTKCC-UHFFFAOYSA-N
Mol Weight 340.34 g/mol
Molecular Formula C17H16N4O4
Exact Mass 340.117155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DD9jYJWsNOF
Name 4-[(3-BENZYL-5-METHYL-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-1-YL)-METHYL]-ISOXAZOLE-3-CARBOXAMIDE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16N4O4
InChI InChI=1S/C17H16N4O4/c1-11-7-20(8-12-5-3-2-4-6-12)17(24)21(16(11)23)9-13-10-25-19-14(13)15(18)22/h2-7,10H,8-9H2,1H3,(H2,18,22)
InChIKey QLHZOYACIKTKCC-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 340.338 g/mol
Solvent CDCl3
Source File Reference UWRU11214