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

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1-ETHYL-N,3-DIMETHYL-4-NITRO-N-(1-METHYL-1H-PYRAZOL-5-YL)-1H-PYRAZOL-5-CARBOXAMIDE;MAJOR-ISOMER
SpectraBase Compound ID 3ELL5cFZpk0
InChI InChI=1S/C12H16N6O3/c1-5-17-11(10(18(20)21)8(2)14-17)12(19)15(3)9-6-7-13-16(9)4/h6-7H,5H2,1-4H3
InChIKey QYGKPQHPIHYVMT-UHFFFAOYSA-N
Mol Weight 292.3 g/mol
Molecular Formula C12H16N6O3
Exact Mass 292.128388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZL8FdtMQLQ
Name 1-ETHYL-N,3-DIMETHYL-4-NITRO-N-(1-METHYL-1H-PYRAZOL-5-YL)-1H-PYRAZOL-5-CARBOXAMIDE;MAJOR-ISOMER
Compound Number 4C
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H16N6O3/c1-5-17-11(10(18(20)21)8(2)14-17)12(19)15(3)9-6-7-13-16(9)4/h6-7H,5H2,1-4H3
InChIKey QYGKPQHPIHYVMT-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