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1-ETHYL-N,3-DIMETHYL-4-NITRO-N-(1-PHENYL-1H-PYRAZOL-5-YL)-1H-PYRAZOL-5-CARBOXAMIDE;MAJOR-ISOMER

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1-ETHYL-N,3-DIMETHYL-4-NITRO-N-(1-PHENYL-1H-PYRAZOL-5-YL)-1H-PYRAZOL-5-CARBOXAMIDE;MAJOR-ISOMER
SpectraBase Compound ID 4a2oDA6Lfac
InChI InChI=1S/C17H18N6O3/c1-4-21-16(15(23(25)26)12(2)19-21)17(24)20(3)14-10-11-18-22(14)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3
InChIKey SHRSOIXNIWHMKY-UHFFFAOYSA-N
Mol Weight 354.37 g/mol
Molecular Formula C17H18N6O3
Exact Mass 354.144038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZB9tw77KvY
Name 1-ETHYL-N,3-DIMETHYL-4-NITRO-N-(1-PHENYL-1H-PYRAZOL-5-YL)-1H-PYRAZOL-5-CARBOXAMIDE;MAJOR-ISOMER
Compound Number 4A
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H18N6O3/c1-4-21-16(15(23(25)26)12(2)19-21)17(24)20(3)14-10-11-18-22(14)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3
InChIKey SHRSOIXNIWHMKY-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