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3-METHYL-4-(3-THIENYL)-ISOXAZOLO-[3,4-D]-PYRIDAZIN-7-(6H)-ONE
SpectraBase Compound ID YMKPpmPInQ
InChI InChI=1S/C10H7N3O2S/c1-5-7-8(6-2-3-16-4-6)11-12-10(14)9(7)13-15-5/h2-4H,1H3,(H,12,14)
InChIKey JGKXIJZVBCSDDC-UHFFFAOYSA-N
Mol Weight 233.24 g/mol
Molecular Formula C10H7N3O2S
Exact Mass 233.025898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSOv3whdXsR
Name 3-METHYL-4-(3-THIENYL)-ISOXAZOLO-[3,4-D]-PYRIDAZIN-7-(6H)-ONE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H7N3O2S
InChI InChI=1S/C10H7N3O2S/c1-5-7-8(6-2-3-16-4-6)11-12-10(14)9(7)13-15-5/h2-4H,1H3,(H,12,14)
InChIKey JGKXIJZVBCSDDC-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 233.244 g/mol
Solvent DMSO-D6
Source File Reference UWSI27042