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1-(2',4'-DINITROPHENYL)-3,4,5-TRIMETHYL-PYRAZOLE
SpectraBase Compound ID KFO1PWjSSLt
InChI InChI=1S/C12H12N4O4/c1-7-8(2)13-14(9(7)3)11-5-4-10(15(17)18)6-12(11)16(19)20/h4-6H,1-3H3
InChIKey VDMSOXIJZIXMBC-UHFFFAOYSA-N
Mol Weight 276.25 g/mol
Molecular Formula C12H12N4O4
Exact Mass 276.085855 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AgiNL9tnuWb
Name 1-(2',4'-DINITROPHENYL)-3,4,5-TRIMETHYL-PYRAZOLE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N4O4
InChI InChI=1S/C12H12N4O4/c1-7-8(2)13-14(9(7)3)11-5-4-10(15(17)18)6-12(11)16(19)20/h4-6H,1-3H3
InChIKey VDMSOXIJZIXMBC-UHFFFAOYSA-N
Literature Reference Author M.A.GARCIA,R.M.CLARAMUNT,J.ELGUERO
Literature Reference Citation MAGN.RES.CHEM.,46,697(2008)
Literature Reference DOI 10.1002/mrc.2219
Solvent SOLID-STATE
Source File Reference UWLU82545