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RAC-1-CYANOACETYL-5-HYDROXY-3-METHYL-5-DICHLOROMETHYL-4,5-DIHYDRO-1H-PYRAZOLE
SpectraBase Compound ID 5kIkBZjC4jR
InChI InChI=1S/C8H9Cl2N3O2/c1-5-4-8(15,7(9)10)13(12-5)6(14)2-3-11/h7,15H,2,4H2,1H3
InChIKey XDBMLVSQSQEBMK-UHFFFAOYSA-N
Mol Weight 250.08 g/mol
Molecular Formula C8H9Cl2N3O2
Exact Mass 249.007182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Q2B6zkOAmv
Name RAC-1-CYANOACETYL-5-HYDROXY-3-METHYL-5-DICHLOROMETHYL-4,5-DIHYDRO-1H-PYRAZOLE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9Cl2N3O2
InChI InChI=1S/C8H9Cl2N3O2/c1-5-4-8(15,7(9)10)13(12-5)6(14)2-3-11/h7,15H,2,4H2,1H3
InChIKey XDBMLVSQSQEBMK-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 250.084 g/mol
Sample ID 40033
Solvent CDCl3