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Etonogestrel TMS
SpectraBase Compound ID 6yvqNzI3M7W
InChI InChI=1S/C25H36O2Si/c1-7-24-16-17(3)23-20-12-10-19(26)15-18(20)9-11-21(23)22(24)13-14-25(24,8-2)27-28(4,5)6/h2,15,20-23H,3,7,9-14,16H2,1,4-6H3
InChIKey GOSVJJICTSJJKM-UHFFFAOYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C25H36O2Si
Exact Mass 396.248457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nexaEVEr2J
Name Etonogestrel TMS
Classification Gestagen
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Exact Mass 396.248456932 u
Formula C25H36O2Si
InChI InChI=1S/C25H36O2Si/c1-7-24-16-17(3)23-20-12-10-19(26)15-18(20)9-11-21(23)22(24)13-14-25(24,8-2)27-28(4,5)6/h2,15,20-23H,3,7,9-14,16H2,1,4-6H3
InChIKey GOSVJJICTSJJKM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 396.646 g/mol
SMILES C1C2C(CCC3C2C(CC2(C3CCC2(C#C)O[Si](C)(C)C)CC)=C)=CC(C1)=O
SPLASH splash10-062c-4952000000-ba0b8bf068a9f4bc872b
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_8180