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3-cyano-1-(1-ethyl-1-methyl-propyl)pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID JbFuhRDncua
InChI InChI=1S/C13H19N3O2/c1-5-13(4,6-2)16-9-10(11(8-14)15-16)12(17)18-7-3/h9H,5-7H2,1-4H3
InChIKey NDHHGCKIZDHCIO-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C13H19N3O2
Exact Mass 249.147727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EN5xJKTxgdL
Name 3-cyano-1-(1-ethyl-1-methyl-propyl)pyrazole-4-carboxylic acid ethyl ester
Compound Number 504
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H19N3O2
InChI InChI=1S/C13H19N3O2/c1-5-13(4,6-2)16-9-10(11(8-14)15-16)12(17)18-7-3/h9H,5-7H2,1-4H3
InChIKey NDHHGCKIZDHCIO-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 249.313 g/mol
Solvent CDCl3
Source File Reference UWVP2141