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Etonogestrel AC
SpectraBase Compound ID ED9i3fNmIOc
InChI InChI=1S/C24H30O3/c1-5-23-14-15(3)22-19-10-8-18(26)13-17(19)7-9-20(22)21(23)11-12-24(23,6-2)27-16(4)25/h2,13,19-22H,3,5,7-12,14H2,1,4H3
InChIKey RMOLAXOSYZVLPA-UHFFFAOYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C24H30O3
Exact Mass 366.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ctTn4iGDmX
Name Etonogestrel AC
Classification Gestagen
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Exact Mass 366.219494823 u
Formula C24H30O3
InChI InChI=1S/C24H30O3/c1-5-23-14-15(3)22-19-10-8-18(26)13-17(19)7-9-20(22)21(23)11-12-24(23,6-2)27-16(4)25/h2,13,19-22H,3,5,7-12,14H2,1,4H3
InChIKey RMOLAXOSYZVLPA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 366.501 g/mol
SMILES C1C2C(=CC(C1)=O)CCC1C2C(CC2(C1CCC2(C#C)OC(=O)C)CC)=C
SPLASH splash10-0atc-3920000000-17e42af51ea292241cd8
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_8179