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(3bR,3aR)-8a-(Dimethylamino)-3b-hydroxy-1-[3'-(trifluoromethyl)phenyl]-3b,4,5,6,7,7a,8,8a-octahydro-3aH-cyclopenta[a]inden-3-one
SpectraBase Compound ID 1TSHgbragZk
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-/m1/s1
InChIKey KQSJBRPZVOGDKK-QPJMVOKLSA-N
Mol Weight 379.42 g/mol
Molecular Formula C21H24F3NO2
Exact Mass 379.175914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lsRj8W3pXt
Name (3bR,3aR)-8a-(Dimethylamino)-3b-hydroxy-1-[3'-(trifluoromethyl)phenyl]-3b,4,5,6,7,7a,8,8a-octahydro-3aH-cyclopenta[a]inden-3-one
Alternate Name(s) (3aR,3bR)-8a-(dimethylamino)-3b-hydroxy-1-[3-(trifluoromethyl)phenyl]-3b,4,5,6,7,7a,8,8a-octahydrocyclopenta[a]inden-3(3aH)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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-/m1/s1
InChIKey KQSJBRPZVOGDKK-QPJMVOKLSA-N
Molecular Weight 379.423 g/mol
SMILES O[C@@]12[C@]3(C(C(=CC3=O)c3cc(C(F)(F)F)ccc3)(CC1CCCC2)N(C)C)[H]
SPLASH splash10-01u9-0239000000-c79b7dd3fecd3fd27906
Source of Spectrum H-2005-1634-0
Wiley ID 1562621