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(3AS,4R,7S,7AR)-3-(4-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)-3A,4,5,6,7,7A-HEXAHYDRO-1H-4,7-METHANOINDEN-1-ONE
SpectraBase Compound ID Hw9WXUIXH7g
InChI InChI=1S/C17H14ClF3O/c18-11-5-3-8(4-6-11)13-12-9-1-2-10(7-9)14(12)16(22)15(13)17(19,20)21/h3-6,9-10,12,14H,1-2,7H2/t9-,10+,12-,14-/m0/s1
InChIKey ZDWGPHWCYZWZBN-QPPBUOOMSA-N
Mol Weight 326.75 g/mol
Molecular Formula C17H14ClF3O
Exact Mass 326.068527 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3GdTKX0fKX
Name (3AS,4R,7S,7AR)-3-(4-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)-3A,4,5,6,7,7A-HEXAHYDRO-1H-4,7-METHANOINDEN-1-ONE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14ClF3O
InChI InChI=1S/C17H14ClF3O/c18-11-5-3-8(4-6-11)13-12-9-1-2-10(7-9)14(12)16(22)15(13)17(19,20)21/h3-6,9-10,12,14H,1-2,7H2/t9-,10+,12-,14-/m0/s1
InChIKey ZDWGPHWCYZWZBN-QPPBUOOMSA-N
Literature Reference Author N.AIGUABELLA,E.M.ARCE,C.D.POZO,X.VERDAGUER,A.RIERA
Literature Reference Citation MOLECULES,19,1763(2014)
Literature Reference DOI 10.3390/molecules19021763
Solvent CDCl3
Source File Reference UWBT14840