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Etonogestrel -C2H2
SpectraBase Compound ID 2OzZtFcvJtj
InChI InChI=1S/C20H26O2/c1-3-20-11-12(2)19-15-7-5-14(21)10-13(15)4-6-16(19)17(20)8-9-18(20)22/h9-10,15-17,19,22H,2-8,11H2,1H3
InChIKey QTBFFORPIZHXRQ-UHFFFAOYSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6sBNpDRhccT
Name Etonogestrel -C2H2
Classification Gestagen
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Exact Mass 298.193280075 u
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-3-20-11-12(2)19-15-7-5-14(21)10-13(15)4-6-16(19)17(20)8-9-18(20)22/h9-10,15-17,19,22H,2-8,11H2,1H3
InChIKey QTBFFORPIZHXRQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 298.426 g/mol
SMILES C1C2C(=CC(C1)=O)CCC1C2C(CC2(C1CC=C2O)CC)=C
SPLASH splash10-057m-4910000000-d849438ec5dd7d817ba1
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_8178