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Tibolone -H2O
SpectraBase Compound ID BCuw6AAqKef
InChI InChI=1S/C21H26O/c1-4-15-5-8-19-20-13(2)11-14-12-16(22)6-7-17(14)18(20)9-10-21(15,19)3/h1,5,13,18-20H,6-12H2,2-3H3
InChIKey BHJMJLZWMGUKQA-UHFFFAOYSA-N
Mol Weight 294.44 g/mol
Molecular Formula C21H26O
Exact Mass 294.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7uADVh2H7PR
Name Tibolone -H2O
Classification Androgen
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Exact Mass 294.198365456 u
Formula C21H26O
InChI InChI=1S/C21H26O/c1-4-15-5-8-19-20-13(2)11-14-12-16(22)6-7-17(14)18(20)9-10-21(15,19)3/h1,5,13,18-20H,6-12H2,2-3H3
InChIKey BHJMJLZWMGUKQA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 294.438 g/mol
SMILES C12=C(CC(C3C4C(C(C#C)=CC4)(C)CCC13)C)CC(CC2)=O
SPLASH splash10-052f-2940000000-552bfc8344633e8dd719
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_5829