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Tibolone TFA
SpectraBase Compound ID DkI5e0ALUQ6
InChI InChI=1S/C23H27F3O3/c1-4-22(29-20(28)23(24,25)26)10-8-18-19-13(2)11-14-12-15(27)5-6-16(14)17(19)7-9-21(18,22)3/h1,13,17-19H,5-12H2,2-3H3
InChIKey UNUBVBWMJFYOOZ-UHFFFAOYSA-N
Mol Weight 408.46 g/mol
Molecular Formula C23H27F3O3
Exact Mass 408.191229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aFGgzYvicg
Name Tibolone TFA
Classification Androgen
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Exact Mass 408.191229215 u
Formula C23H27F3O3
InChI InChI=1S/C23H27F3O3/c1-4-22(29-20(28)23(24,25)26)10-8-18-19-13(2)11-14-12-15(27)5-6-16(14)17(19)7-9-21(18,22)3/h1,13,17-19H,5-12H2,2-3H3
InChIKey UNUBVBWMJFYOOZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 408.461 g/mol
SMILES C12(C(C3C(C4=C(CC(=O)CC4)CC3C)CC1)CCC2(OC(C(F)(F)F)=O)C#C)C
SPLASH splash10-0a6r-1951100000-bbb470c2bdf0945033e9
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5828