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1-(Cyanoacetyl)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 4tkpqvX8IKr
InChI InChI=1S/C8H8F3N3O2/c1-5-4-7(16,8(9,10)11)14(13-5)6(15)2-3-12/h16H,2,4H2,1H3
InChIKey LJDWKJHVSBUOOF-UHFFFAOYSA-N
Mol Weight 235.17 g/mol
Molecular Formula C8H8F3N3O2
Exact Mass 235.056861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IfPX0aaQFYm
Name RAC-1-CYANOACETYL-5-HYDROXY-3-METHYL-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOLE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8F3N3O2
InChI InChI=1S/C8H8F3N3O2/c1-5-4-7(16,8(9,10)11)14(13-5)6(15)2-3-12/h16H,2,4H2,1H3
InChIKey LJDWKJHVSBUOOF-UHFFFAOYSA-N
Literature Reference Author D.N.MOREIRA,C.P.FRIZZO,.LONGHI,N.ZANATTA,H.G.BONACORSO,M.A.P .MARTINS
Literature Reference Citation MH.CHEM.,139,1049(2008)
Literature Reference DOI 10.1007/s00706-008-0874-8
Molecular Weight 235.166 g/mol
Sample ID 40025
Solvent CDCl3