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1-(Cyanoacetyl)-5-hydroxy-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID FzaN17UybaI
InChI InChI=1S/C7H6Cl3N3O2/c8-7(9,10)6(15)2-4-12-13(6)5(14)1-3-11/h4,15H,1-2H2
InChIKey VGAOEVJDSXCKPD-UHFFFAOYSA-N
Mol Weight 270.5 g/mol
Molecular Formula C7H6Cl3N3O2
Exact Mass 268.95256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3SKiO2XIKJ1
Name RAC-1-CYANOACETYL-5-HYDROXY-5-TRICHLOROMETHYL-4,5-DIHYDRO-1H-PYRAZOLE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H6Cl3N3O2
InChI InChI=1S/C7H6Cl3N3O2/c8-7(9,10)6(15)2-4-12-13(6)5(14)1-3-11/h4,15H,1-2H2
InChIKey VGAOEVJDSXCKPD-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 270.503 g/mol
Sample ID 40029
Solvent DMSO-D6