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1-(Cyanoacetyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID Avu3SpgbiS5
InChI InChI=1S/C7H6F3N3O2/c8-7(9,10)6(15)2-4-12-13(6)5(14)1-3-11/h4,15H,1-2H2
InChIKey AGFOVAFTJYDQDR-UHFFFAOYSA-N
Mol Weight 221.14 g/mol
Molecular Formula C7H6F3N3O2
Exact Mass 221.041211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNIKAzoUmgl
Name 1-CYANOACETYL-5-HYDROXY-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOLE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H6F3N3O2
InChI InChI=1S/C7H6F3N3O2/c8-7(9,10)6(15)2-4-12-13(6)5(14)1-3-11/h4,15H,1-2H2
InChIKey AGFOVAFTJYDQDR-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 221.139 g/mol
Source File Reference UWIR5255