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1-(benzyl)-3-methyl-5-(2-phenylacetyl)pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID BBKmbuU3z8b
InChI InChI=1S/C22H22N2O3/c1-3-27-22(26)20-16(2)23-24(15-18-12-8-5-9-13-18)21(20)19(25)14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3
InChIKey TWKJJSURVSXISK-UHFFFAOYSA-N
Mol Weight 362.43 g/mol
Molecular Formula C22H22N2O3
Exact Mass 362.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2TjZzKKBtZ3
Name 1-(benzyl)-3-methyl-5-(2-phenylacetyl)pyrazole-4-carboxylic acid ethyl ester
Compound Number 435
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N2O3
InChI InChI=1S/C22H22N2O3/c1-3-27-22(26)20-16(2)23-24(15-18-12-8-5-9-13-18)21(20)19(25)14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3
InChIKey TWKJJSURVSXISK-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 362.428 g/mol
Solvent CDCl3
Source File Reference UWVP2065