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3,4,5-trimethyl-1-(2,4,6-trinitrophenyl)pyrazole
SpectraBase Compound ID NbAjrEDA3z
InChI InChI=1S/C12H11N5O6/c1-6-7(2)13-14(8(6)3)12-10(16(20)21)4-9(15(18)19)5-11(12)17(22)23/h4-5H,1-3H3
InChIKey ZZHTTZDFBXJCEA-UHFFFAOYSA-N
Mol Weight 321.25 g/mol
Molecular Formula C12H11N5O6
Exact Mass 321.070933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DljbpRdBePk
Name 3,4,5-trimethyl-1-(2,4,6-trinitrophenyl)pyrazole
Compound Number 910
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N5O6
InChI InChI=1S/C12H11N5O6/c1-6-7(2)13-14(8(6)3)12-10(16(20)21)4-9(15(18)19)5-11(12)17(22)23/h4-5H,1-3H3
InChIKey ZZHTTZDFBXJCEA-UHFFFAOYSA-N
Literature Reference Author M.BEGTRUP,G.BOYER,P.CABILDO,C.CATIVIELA,R.M.CLARAMUNT,J.ELGU ERO,J.I.GARCIA,C.TOI
Literature Reference Citation MAGN.RES.CHEM.,31,107(1993)
Literature Reference DOI 10.1002/mrc.1260310202
Molecular Weight 321.249 g/mol
Solvent DMSO-D6
Source File Reference UWVP1039