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(3AS,4R,7S,7AR)-2-(4-METHOXYPHENYL)-3-(TRIFLUOROMETHYL)-3A,4,5,6,7,7A-HEXAHYDRO-1H-4,7-METHANOINDEN-1-ONE
SpectraBase Compound ID InYJa470ohX
InChI InChI=1S/C18H17F3O2/c1-23-12-6-4-9(5-7-12)15-16(18(19,20)21)13-10-2-3-11(8-10)14(13)17(15)22/h4-7,10-11,13-14H,2-3,8H2,1H3/t10-,11+,13+,14-/m0/s1
InChIKey BWPHHAJMDGBIEL-UNJBNNCHSA-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 BCnp8dRBchn
Name (3AS,4R,7S,7AR)-2-(4-METHOXYPHENYL)-3-(TRIFLUOROMETHYL)-3A,4,5,6,7,7A-HEXAHYDRO-1H-4,7-METHANOINDEN-1-ONE
Compound Number 4B
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)15-16(18(19,20)21)13-10-2-3-11(8-10)14(13)17(15)22/h4-7,10-11,13-14H,2-3,8H2,1H3/t10-,11+,13+,14-/m0/s1
InChIKey BWPHHAJMDGBIEL-UNJBNNCHSA-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 UWBT14839