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2-[[1-(benzyl)pyrazol-4-yl]methylene]malonic acid diethyl ester
SpectraBase Compound ID DfnLSZw9CtC
InChI InChI=1S/C18H20N2O4/c1-3-23-17(21)16(18(22)24-4-2)10-15-11-19-20(13-15)12-14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3
InChIKey WYKQCJFQMKHWMS-UHFFFAOYSA-N
Mol Weight 328.37 g/mol
Molecular Formula C18H20N2O4
Exact Mass 328.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SC5oL7V7hR
Name 2-[[1-(benzyl)pyrazol-4-yl]methylene]malonic acid diethyl ester
Compound Number 448
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N2O4
InChI InChI=1S/C18H20N2O4/c1-3-23-17(21)16(18(22)24-4-2)10-15-11-19-20(13-15)12-14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3
InChIKey WYKQCJFQMKHWMS-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 328.368 g/mol
Solvent DMSO-D6
Source File Reference UWVP2080