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1-ETHYL-N,3-DIMETHYL-4-NITRO-N-(1-PHENYL-3-METHYL-1H-PYRAZOL-5-YL)-1H-PYRAZOL-5-CARBOXAMIDE;MAJOR-ISOMER
SpectraBase Compound ID 8R31oLGlo6z
InChI InChI=1S/C18H20N6O3/c1-5-22-17(16(24(26)27)13(3)20-22)18(25)21(4)15-11-12(2)19-23(15)14-9-7-6-8-10-14/h6-11H,5H2,1-4H3
InChIKey VJFKKJDUSBZZHZ-UHFFFAOYSA-N
Mol Weight 368.4 g/mol
Molecular Formula C18H20N6O3
Exact Mass 368.159689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Nh4roIWMeG
Name 1-ETHYL-N,3-DIMETHYL-4-NITRO-N-(1-PHENYL-3-METHYL-1H-PYRAZOL-5-YL)-1H-PYRAZOL-5-CARBOXAMIDE;MAJOR-ISOMER
Compound Number 4B
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H20N6O3/c1-5-22-17(16(24(26)27)13(3)20-22)18(25)21(4)15-11-12(2)19-23(15)14-9-7-6-8-10-14/h6-11H,5H2,1-4H3
InChIKey VJFKKJDUSBZZHZ-UHFFFAOYSA-N
Literature Reference O.MIGLIARA,L.LAMARTINA,M.TIMONERI,S.PLESCIA J.HETCYCL.CHEM.,32,835(1995)
Solvent Dimethyl sulfoxide-d6
Technique APT, DEPT, INEPT; C/H SHIFT CORRELATION