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Gestonorone -H2O
SpectraBase Compound ID F4Al3Y6DOed
InChI InChI=1S/C20H26O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h7,11,15-17,19H,3-6,8-10H2,1-2H3
InChIKey UNULTKSFQCSKHR-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 LWWdXA1907W
Name Gestonorone -H2O
Classification Gestagen
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Exact Mass 298.193280075 u
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h7,11,15-17,19H,3-6,8-10H2,1-2H3
InChIKey UNULTKSFQCSKHR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 298.426 g/mol
Related CAS Registry Number(s) 2137-18-0
SMILES C1=C(C2(C(C1)C1CCC3=CC(CCC3C1CC2)=O)C)C(C)=O
SPLASH splash10-0a4j-6890000000-ab7048b7b256422c9104
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_2075