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3-TRIFLUOROMETHYL-3,3A,4,5,6,7-HEXAHYDRO-3-HYDROXY-2-(PYRIDIN-2-YL)-2H-INDAZOLE
SpectraBase Compound ID AYzA8YV0L5v
InChI InChI=1S/C13H14F3N3O/c14-13(15,16)12(20)9-5-1-2-6-10(9)18-19(12)11-7-3-4-8-17-11/h3-4,7-9,20H,1-2,5-6H2
InChIKey XHFCYRBGSYGEKP-UHFFFAOYSA-N
Mol Weight 285.27 g/mol
Molecular Formula C13H14F3N3O
Exact Mass 285.108897 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 613Kw9DQv48
Name 3-TRIFLUOROMETHYL-3,3A,4,5,6,7-HEXAHYDRO-3-HYDROXY-2-(PYRIDIN-2-YL)-2H-INDAZOLE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14F3N3O
InChI InChI=1S/C13H14F3N3O/c14-13(15,16)12(20)9-5-1-2-6-10(9)18-19(12)11-7-3-4-8-17-11/h3-4,7-9,20H,1-2,5-6H2
InChIKey XHFCYRBGSYGEKP-UHFFFAOYSA-N
Literature Reference Author D.V.SEVENARD,O.G.KHOMUTOV,M.I.KODESS,K.I.PASHKEVICH,I.LOOP,E .LORK,G.V.ROESCHENT
Literature Reference Citation CAN.J.CHEM.,79,183(2001)
Literature Reference DOI 10.1139/cjc-79-2-183
Solvent CDCl3
Source File Reference UWSI16037