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(3AS,4R,7S,7AR)-3-(4-METHOXYPHENYL)-2-(TRIFLUOROMETHYL)-3A,4,5,6,7,7A-HEXAHYDRO-1H-4,7-METHANOINDEN-1-ONE
SpectraBase Compound ID 5iLj32v6NN4
InChI InChI=1S/C18H17F3O2/c1-23-12-6-4-9(5-7-12)14-13-10-2-3-11(8-10)15(13)17(22)16(14)18(19,20)21/h4-7,10-11,13,15H,2-3,8H2,1H3/t10-,11+,13-,15-/m0/s1
InChIKey TZAAJASBNCAOQK-WJNVRWDZSA-N
Mol Weight 322.33 g/mol
Molecular Formula C18H17F3O2
Exact Mass 322.118064 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FARyj2TTNc
Name (3AS,4R,7S,7AR)-3-(4-METHOXYPHENYL)-2-(TRIFLUOROMETHYL)-3A,4,5,6,7,7A-HEXAHYDRO-1H-4,7-METHANOINDEN-1-ONE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17F3O2
InChI InChI=1S/C18H17F3O2/c1-23-12-6-4-9(5-7-12)14-13-10-2-3-11(8-10)15(13)17(22)16(14)18(19,20)21/h4-7,10-11,13,15H,2-3,8H2,1H3/t10-,11+,13-,15-/m0/s1
InChIKey TZAAJASBNCAOQK-WJNVRWDZSA-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 UWBT14838