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RAC-1-CYANOACETYL-3,3A,4,5,6,7-HEXAHYDRO-3-TRIFLUOROMETHYL-3-HYDROXY-[2,1]-BENZOPYRAZOLE
SpectraBase Compound ID 1Vuva1rA9C1
InChI InChI=1S/C11H12F3N3O2/c12-11(13,14)10(19)7-3-1-2-4-8(7)16-17(10)9(18)5-6-15/h7,19H,1-5H2
InChIKey WBVQGOPHIMCBSN-UHFFFAOYSA-N
Mol Weight 275.23 g/mol
Molecular Formula C11H12F3N3O2
Exact Mass 275.088161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2MnBeFtxCMO
Name RAC-1-CYANOACETYL-3,3A,4,5,6,7-HEXAHYDRO-3-TRIFLUOROMETHYL-3-HYDROXY-[2,1]-BENZOPYRAZOLE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12F3N3O2
InChI InChI=1S/C11H12F3N3O2/c12-11(13,14)10(19)7-3-1-2-4-8(7)16-17(10)9(18)5-6-15/h7,19H,1-5H2
InChIKey WBVQGOPHIMCBSN-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 275.230 g/mol
Sample ID 40027
Solvent CDCl3