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3-methyl-1-(4-nitrophenyl)-5-[(E)-prop-1-enyl]pyrazole
SpectraBase Compound ID 3FF6jApsUIU
InChI InChI=1S/C13H13N3O2/c1-3-4-13-9-10(2)14-15(13)11-5-7-12(8-6-11)16(17)18/h3-9H,1-2H3/b4-3+
InChIKey OLSOYPPCNDHYDH-ONEGZZNKSA-N
Mol Weight 243.27 g/mol
Molecular Formula C13H13N3O2
Exact Mass 243.100777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gdj3t3peR6a
Name 3-methyl-1-(4-nitrophenyl)-5-[(E)-prop-1-enyl]pyrazole
Compound Number 943
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N3O2
InChI InChI=1S/C13H13N3O2/c1-3-4-13-9-10(2)14-15(13)11-5-7-12(8-6-11)16(17)18/h3-9H,1-2H3/b4-3+
InChIKey OLSOYPPCNDHYDH-ONEGZZNKSA-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 243.265 g/mol
Solvent DMSO-D6
Source File Reference UWVP1072