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1-(Cyanoacetyl)-5-hydroxy-3-propyl-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID FA9PsImUKS8
InChI InChI=1S/C10H12Cl3N3O2/c1-2-3-7-6-9(18,10(11,12)13)16(15-7)8(17)4-5-14/h18H,2-4,6H2,1H3
InChIKey FXLVWIJEBZHWQJ-UHFFFAOYSA-N
Mol Weight 312.58 g/mol
Molecular Formula C10H12Cl3N3O2
Exact Mass 310.99951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIRSY8e2Lcw
Name RAC-1-CYANOACETYL-5-HYDROXY-3-PROPYL-5-TRICHLOROMETHYL-4,5-DIHYDRO-1H-PYRAZOLE
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12Cl3N3O2
InChI InChI=1S/C10H12Cl3N3O2/c1-2-3-7-6-9(18,10(11,12)13)16(15-7)8(17)4-5-14/h18H,2-4,6H2,1H3
InChIKey FXLVWIJEBZHWQJ-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 312.583 g/mol
Sample ID 40032
Solvent DMSO-D6