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3-METHYL-4-PHENYL-ISOXAZOLO-[3,4-D]-PYRIDAZIN-7-(6H)-ONE
SpectraBase Compound ID CD3dVsPR9HX
InChI InChI=1S/C12H9N3O2/c1-7-9-10(8-5-3-2-4-6-8)13-14-12(16)11(9)15-17-7/h2-6H,1H3,(H,14,16)
InChIKey YUQZAUWIHXYWKC-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C12H9N3O2
Exact Mass 227.069477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1gJGoHRnKdt
Name 3-METHYL-4-PHENYL-ISOXAZOLO-[3,4-D]-PYRIDAZIN-7-(6H)-ONE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9N3O2
InChI InChI=1S/C12H9N3O2/c1-7-9-10(8-5-3-2-4-6-8)13-14-12(16)11(9)15-17-7/h2-6H,1H3,(H,14,16)
InChIKey YUQZAUWIHXYWKC-UHFFFAOYSA-N
Literature Reference Author V.D.PIAZ,A.GRAZIANO,N.HAIDER,W.HOLZER
Literature Reference Citation MAGN.RES.CHEM.,43,240(2005)
Literature Reference DOI 10.1002/mrc.1528
Molecular Weight 227.222 g/mol
Solvent DMSO-D6
Source File Reference UWSI27044