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1-CYANOACETYL-5-HYDROXY-3-PHENYL-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOLE
SpectraBase Compound ID Bpjd9imSIbM
InChI InChI=1S/C13H10F3N3O2/c14-13(15,16)12(21)8-10(9-4-2-1-3-5-9)18-19(12)11(20)6-7-17/h1-5,21H,6,8H2
InChIKey WYIONPMUPCJBFP-UHFFFAOYSA-N
Mol Weight 297.24 g/mol
Molecular Formula C13H10F3N3O2
Exact Mass 297.072511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASlKgNcpZrT
Name 1-CYANOACETYL-5-HYDROXY-3-PHENYL-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOLE
Compound Number 5G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H10F3N3O2
InChI InChI=1S/C13H10F3N3O2/c14-13(15,16)12(21)8-10(9-4-2-1-3-5-9)18-19(12)11(20)6-7-17/h1-5,21H,6,8H2
InChIKey WYIONPMUPCJBFP-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 297.237 g/mol
Source File Reference UWIR5260