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3-(3-METHYL-4-NITROSO-1-PHENYL-1H-5-PYRAZOLYL)-5-METHYL-ISOXAZOLE
SpectraBase Compound ID 8kuE0nnmz3y
InChI InChI=1S/C14H12N4O2/c1-9-8-12(17-20-9)14-13(16-19)10(2)15-18(14)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey FLOYSSRIUNGCOW-UHFFFAOYSA-N
Mol Weight 268.28 g/mol
Molecular Formula C14H12N4O2
Exact Mass 268.096026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FyIWJVHuAtM
Name 3-(3-METHYL-4-NITROSO-1-PHENYL-1H-5-PYRAZOLYL)-5-METHYL-ISOXAZOLE
Compound Number 6G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12N4O2
InChI InChI=1S/C14H12N4O2/c1-9-8-12(17-20-9)14-13(16-19)10(2)15-18(14)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey FLOYSSRIUNGCOW-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 268.275 g/mol
Solvent DMSO-D6
Source File Reference UWVN20507