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3,3A,4,5,6,7-HEXAHYDRO-3-TRIFLUOROMETHYL-3-HYDROXY-[2,1]-BENZOCYANOACETYL-PYRAZOLE
SpectraBase Compound ID H999dszYX3Y
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/t7-,10?/m1/s1
InChIKey WBVQGOPHIMCBSN-PVSHWOEXSA-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 5vLI1vV0hL2
Name 3,3A,4,5,6,7-HEXAHYDRO-3-TRIFLUOROMETHYL-3-HYDROXY-[2,1]-BENZOCYANOACETYL-PYRAZOLE
Compound Number 5F
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/t7-,10?/m1/s1
InChIKey WBVQGOPHIMCBSN-PVSHWOEXSA-N
Literature Reference Author M.A.P.MARTINS,D.N.MOREIRA,C.P.FRIZZO,K.LONGHI,N.ZANATTA,H.G. BONACORSO
Literature Reference Citation J.BRAZ.CHEM.SOC.,19,1361(2008)
Literature Reference DOI 10.1590/s0103-50532008000700019
Molecular Weight 275.230 g/mol
Source File Reference UWIR5259