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1-(Cyanoacetyl)-5-hydroxy-3-methyl-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID K3v0cSZzQGm
InChI InChI=1S/C8H8Cl3N3O2/c1-5-4-7(16,8(9,10)11)14(13-5)6(15)2-3-12/h16H,2,4H2,1H3
InChIKey RCYLYXMKABQSRA-UHFFFAOYSA-N
Mol Weight 284.53 g/mol
Molecular Formula C8H8Cl3N3O2
Exact Mass 282.96821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 45wI4deiqZe
Name 1-CYANOACETYL-5-HYDROXY-3-METHYL-5-TRICHLOROMETHYL-4,5-DIHYDRO-1H-PYRAZOLE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8Cl3N3O2
InChI InChI=1S/C8H8Cl3N3O2/c1-5-4-7(16,8(9,10)11)14(13-5)6(15)2-3-12/h16H,2,4H2,1H3
InChIKey RCYLYXMKABQSRA-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 284.529 g/mol
Source File Reference UWIR5263