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1-CYANOACETYL-5-HYDROXY-3-PENTYL-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOLE
SpectraBase Compound ID KKCsyS10wLD
InChI InChI=1S/C12H16F3N3O2/c1-2-3-4-5-9-8-11(20,12(13,14)15)18(17-9)10(19)6-7-16/h20H,2-6,8H2,1H3
InChIKey AIZAFAWTQZWDBJ-UHFFFAOYSA-N
Mol Weight 291.27 g/mol
Molecular Formula C12H16F3N3O2
Exact Mass 291.119461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G8LB8b1YdZr
Name 1-CYANOACETYL-5-HYDROXY-3-PENTYL-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOLE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16F3N3O2
InChI InChI=1S/C12H16F3N3O2/c1-2-3-4-5-9-8-11(20,12(13,14)15)18(17-9)10(19)6-7-16/h20H,2-6,8H2,1H3
InChIKey AIZAFAWTQZWDBJ-UHFFFAOYSA-N
Literature Reference Author M.A.P.MARTINS,D.N.MOREIRA,C.P.FRIZZO,K.LONGHI,N.ZANATTA,H.G. BONACORSO
Literature Reference Citation J.BRAZ.CHEM.SOC.,19,1361(2008)
Literature Reference DOI 10.1590/s0103-50532008000700019
Molecular Weight 291.273 g/mol
Source File Reference UWIR5258