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3-BUTYL-5-PHENYL-4-OXO-4H-PYRAZOLE-1,2-DIOXIDE
SpectraBase Compound ID BIWu92XBb33
InChI InChI=1S/C13H14N2O3/c1-2-3-9-11-13(16)12(15(18)14(11)17)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey XRKJSZALBPHTLG-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jEAGJk8Y29
Name 3-BUTYL-5-PHENYL-4-OXO-4H-PYRAZOLE-1,2-DIOXIDE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-2-3-9-11-13(16)12(15(18)14(11)17)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey XRKJSZALBPHTLG-UHFFFAOYSA-N
Literature Reference Author W.E.ZELLER,L.S.ZELLER,J.F.HANSEN
Literature Reference Citation HETEROCYCLES,51,145(1999)
Literature Reference DOI 10.3987/COM-98-8333
Molecular Weight 246.266 g/mol
Solvent CDCl3
Source File Reference UWRU2550