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3-Methyl-4-palmitoyl-1-phenylpyrazol-5-on
SpectraBase Compound ID BNUJQULGGkS
InChI InChI=1S/C28H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(31)27-24(2)29-30(28(27)32)25-21-18-17-19-22-25/h17-19,21-22,29H,3-16,20,23H2,1-2H3
InChIKey KDIWXNYJRWFWMN-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C28H44N2O2
Exact Mass 440.340279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDObOIc0xdV
Name 3-METHYL-4-PALMITOYL-1-PHENYLPYRAZOL-5-ON
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44N2O2
InChI InChI=1S/C28H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(31)27-24(2)29-30(28(27)32)25-21-18-17-19-22-25/h17-19,21-22,29H,3-16,20,23H2,1-2H3
InChIKey KDIWXNYJRWFWMN-UHFFFAOYSA-N
Literature Reference Author E.C.OKAFOR
Literature Reference Citation SPECTROCH.ACTA,40A,397(1984)
Molecular Weight 440.670 g/mol
Solvent CDCl3
Source File Reference UNIW13835