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(3AS,4R,7S,7SR)-3-(PARA-TOLYL)-2-(TRIFLUOROMETHYL)-3A,4,5,6,7,7A-HEXAHYDRO-1H-4,7-METHANOINDEN-1-ONE
SpectraBase Compound ID EuNlAgFSDkQ
InChI InChI=1S/C18H17F3O/c1-9-2-4-10(5-3-9)14-13-11-6-7-12(8-11)15(13)17(22)16(14)18(19,20)21/h2-5,11-13,15H,6-8H2,1H3/t11-,12+,13-,15-/m0/s1
InChIKey SBAWAJMCDMDOPF-XFMPKHEZSA-N
Mol Weight 306.33 g/mol
Molecular Formula C18H17F3O
Exact Mass 306.12315 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yWJRsp4c6p
Name (3AS,4R,7S,7SR)-3-(PARA-TOLYL)-2-(TRIFLUOROMETHYL)-3A,4,5,6,7,7A-HEXAHYDRO-1H-4,7-METHANOINDEN-1-ONE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17F3O
InChI InChI=1S/C18H17F3O/c1-9-2-4-10(5-3-9)14-13-11-6-7-12(8-11)15(13)17(22)16(14)18(19,20)21/h2-5,11-13,15H,6-8H2,1H3/t11-,12+,13-,15-/m0/s1
InChIKey SBAWAJMCDMDOPF-XFMPKHEZSA-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 UWBT14836