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#8BG;(3AS,3BS,7AS,8AR)/(3AR,3BR,7AR,8AS)-8A-DIMETHYLAMINO-3B-HYDROXY-1-(3'-TRIFLUOROMETHYLPHENYL)-3B,4,5,6,7,7A,8,8A-OCTAHYDRO-3A-H-CYCLOPENTA-[A]-INDEN-3-ONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

#8BG;(3AS,3BS,7AS,8AR)/(3AR,3BR,7AR,8AS)-8A-DIMETHYLAMINO-3B-HYDROXY-1-(3'-TRIFLUOROMETHYLPHENYL)-3B,4,5,6,7,7A,8,8A-OCTAHYDRO-3A-H-CYCLOPENTA-[A]-INDEN-3-ONE
SpectraBase Compound ID JUyfFQl3UjV
InChI InChI=1S/C21H24F3NO2/c1-25(2)19-12-15-7-3-4-9-20(15,27)18(19)17(26)11-16(19)13-6-5-8-14(10-13)21(22,23)24/h5-6,8,10-11,15,18,27H,3-4,7,9,12H2,1-2H3/t15-,18+,19+,20-/m0/s1
InChIKey KQSJBRPZVOGDKK-OBZTUIKSSA-N
Mol Weight 379.42 g/mol
Molecular Formula C21H24F3NO2
Exact Mass 379.175914 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J24Nj2f4h2J
Name #8BG;(3AS,3BS,7AS,8AR)/(3AR,3BR,7AR,8AS)-8A-DIMETHYLAMINO-3B-HYDROXY-1-(3'-TRIFLUOROMETHYLPHENYL)-3B,4,5,6,7,7A,8,8A-OCTAHYDRO-3A-H-CYCLOPENTA-[A]-INDEN-3-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24F3NO2
InChI InChI=1S/C21H24F3NO2/c1-25(2)19-12-15-7-3-4-9-20(15,27)18(19)17(26)11-16(19)13-6-5-8-14(10-13)21(22,23)24/h5-6,8,10-11,15,18,27H,3-4,7,9,12H2,1-2H3/t15-,18+,19+,20-/m0/s1
InChIKey KQSJBRPZVOGDKK-OBZTUIKSSA-N
Literature Reference Author Y.T.WU,D.VIDOVIC,J.MAGULL,A.D.MEIJERE
Literature Reference Citation EUR.J.ORG.CHEM.,1625(2005)
Literature Reference DOI 10.1002/ejoc.200400858
Molecular Weight 379.422 g/mol
Sample ID 31047
Solvent CDCl3