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1-tert-amyl-3-cyano-pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID AggFr5HH0Pe
InChI InChI=1S/C12H17N3O2/c1-5-12(3,4)15-8-9(10(7-13)14-15)11(16)17-6-2/h8H,5-6H2,1-4H3
InChIKey HLBYOUSKJKMSDV-UHFFFAOYSA-N
Mol Weight 235.29 g/mol
Molecular Formula C12H17N3O2
Exact Mass 235.132077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYFh2Avnz8e
Name 1-tert-amyl-3-cyano-pyrazole-4-carboxylic acid ethyl ester
Compound Number 498
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17N3O2
InChI InChI=1S/C12H17N3O2/c1-5-12(3,4)15-8-9(10(7-13)14-15)11(16)17-6-2/h8H,5-6H2,1-4H3
InChIKey HLBYOUSKJKMSDV-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 235.286 g/mol
Solvent CDCl3
Source File Reference UWVP2135