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3-(1-BUTYL-3-METHYL-4-NITROSO-1H-5-PYRAZOLYL)-5-METHYL-ISOXAZOLE
SpectraBase Compound ID IHhXub1md3N
InChI InChI=1S/C12H16N4O2/c1-4-5-6-16-12(10-7-8(2)18-15-10)11(14-17)9(3)13-16/h7H,4-6H2,1-3H3
InChIKey KJVPJXAYSIMCMT-UHFFFAOYSA-N
Mol Weight 248.29 g/mol
Molecular Formula C12H16N4O2
Exact Mass 248.127326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7tuZWhRYj6
Name 3-(1-BUTYL-3-METHYL-4-NITROSO-1H-5-PYRAZOLYL)-5-METHYL-ISOXAZOLE
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16N4O2
InChI InChI=1S/C12H16N4O2/c1-4-5-6-16-12(10-7-8(2)18-15-10)11(14-17)9(3)13-16/h7H,4-6H2,1-3H3
InChIKey KJVPJXAYSIMCMT-UHFFFAOYSA-N
Literature Reference Author E.AIELLO,S.AIELLO,F.MINGOIA,A.BACCHI,G.PELIZZI,C.MUSIU,M.G.S ETZU,A.PANI,P.L.COLL
Literature Reference Citation BIOORG.MED.CHEM.,8,2719(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00211-X
Molecular Weight 248.285 g/mol
Solvent DMSO-D6
Source File Reference UWVN20506