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5-cyano-1-cyclohexyl-pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID FX5xZpuZNpp
InChI InChI=1S/C13H17N3O2/c1-2-18-13(17)11-9-15-16(12(11)8-14)10-6-4-3-5-7-10/h9-10H,2-7H2,1H3
InChIKey NHIXSHKGERFBNN-UHFFFAOYSA-N
Mol Weight 247.3 g/mol
Molecular Formula C13H17N3O2
Exact Mass 247.132077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IN5iXZgcbuA
Name 5-cyano-1-cyclohexyl-pyrazole-4-carboxylic acid ethyl ester
Compound Number 480
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17N3O2
InChI InChI=1S/C13H17N3O2/c1-2-18-13(17)11-9-15-16(12(11)8-14)10-6-4-3-5-7-10/h9-10H,2-7H2,1H3
InChIKey NHIXSHKGERFBNN-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 247.297 g/mol
Solvent CDCl3
Source File Reference UWVP2116