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1-(Cyanoacetyl)-5-hydroxy-3-ethyl-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 92Q1rEUsJEp
InChI InChI=1S/C9H10Cl3N3O2/c1-2-6-5-8(17,9(10,11)12)15(14-6)7(16)3-4-13/h17H,2-3,5H2,1H3
InChIKey UOSMCTNMIDCFAC-UHFFFAOYSA-N
Mol Weight 298.56 g/mol
Molecular Formula C9H10Cl3N3O2
Exact Mass 296.98386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfngReGmUpx
Name RAC-1-CYANOACETYL-5-HYDROXY-3-ETHYL-5-TRICHLOROMETHYL-4,5-DIHYDRO-1H-PYRAZOLE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10Cl3N3O2
InChI InChI=1S/C9H10Cl3N3O2/c1-2-6-5-8(17,9(10,11)12)15(14-6)7(16)3-4-13/h17H,2-3,5H2,1H3
InChIKey UOSMCTNMIDCFAC-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 298.556 g/mol
Sample ID 40031
Solvent CDCl3