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3-(3-METHYL-4-NITROSO-1-PROPYL-1H-5-PYRAZOLYL)-5-METHYL-ISOXAZOLE
SpectraBase Compound ID FDHVb8Pr6On
InChI InChI=1S/C11H14N4O2/c1-4-5-15-11(9-6-7(2)17-14-9)10(13-16)8(3)12-15/h6H,4-5H2,1-3H3
InChIKey KCGOOCOKEYXFFR-UHFFFAOYSA-N
Mol Weight 234.26 g/mol
Molecular Formula C11H14N4O2
Exact Mass 234.111676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzBRPMN4YWr
Name 3-(3-METHYL-4-NITROSO-1-PROPYL-1H-5-PYRAZOLYL)-5-METHYL-ISOXAZOLE
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14N4O2
InChI InChI=1S/C11H14N4O2/c1-4-5-15-11(9-6-7(2)17-14-9)10(13-16)8(3)12-15/h6H,4-5H2,1-3H3
InChIKey KCGOOCOKEYXFFR-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 234.258 g/mol
Solvent DMSO-D6
Source File Reference UWVN20505