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3-AMINO-7-METHYL-5-PHENYL-2H,3AH,5H,7H,7AH-ISOXAZOLO-[3,4-D]-PYRIMIDIN-4,6-DIONE
SpectraBase Compound ID IboiRbTtqN7
InChI InChI=1S/C12H10N4O3/c1-15-10-8(9(13)19-14-10)11(17)16(12(15)18)7-5-3-2-4-6-7/h2-6H,13H2,1H3
InChIKey BDARCLMSCFWKQE-UHFFFAOYSA-N
Mol Weight 258.24 g/mol
Molecular Formula C12H10N4O3
Exact Mass 258.07529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6axrELEWkjw
Name 3-AMINO-7-METHYL-5-PHENYL-2H,3AH,5H,7H,7AH-ISOXAZOLO-[3,4-D]-PYRIMIDIN-4,6-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10N4O3
InChI InChI=1S/C12H10N4O3/c1-15-10-8(9(13)19-14-10)11(17)16(12(15)18)7-5-3-2-4-6-7/h2-6H,13H2,1H3
InChIKey BDARCLMSCFWKQE-UHFFFAOYSA-N
Literature Reference Author M.GELBIN,D.MARTIN
Literature Reference Citation J.PRAKT.CHEM.,329,753(1987)
Literature Reference DOI 10.1002/prac.19873290502
Molecular Weight 258.236 g/mol
Solvent DMSO-D6
Source File Reference UWED14820