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(3AS,4R,7S,7AR)-2-(4-CHLOROPHENYL)-3-(TRIFLUOROMETHYL)-3A,4,5,6,7,7A-HEXAHYDRO-1H-4,7-METHANOINDEN-1-ONE
SpectraBase Compound ID 6ulXb8qNpd9
InChI InChI=1S/C17H14ClF3O/c18-11-5-3-8(4-6-11)14-15(17(19,20)21)12-9-1-2-10(7-9)13(12)16(14)22/h3-6,9-10,12-13H,1-2,7H2/t9-,10+,12+,13-/m0/s1
InChIKey VBMAZSIZMRYXIT-YGNMPJRFSA-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 GzICftKu93x
Name (3AS,4R,7S,7AR)-2-(4-CHLOROPHENYL)-3-(TRIFLUOROMETHYL)-3A,4,5,6,7,7A-HEXAHYDRO-1H-4,7-METHANOINDEN-1-ONE
Compound Number 4C
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)14-15(17(19,20)21)12-9-1-2-10(7-9)13(12)16(14)22/h3-6,9-10,12-13H,1-2,7H2/t9-,10+,12+,13-/m0/s1
InChIKey VBMAZSIZMRYXIT-YGNMPJRFSA-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 UWBT14841