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3-Methoxy-estra-1,3,5(10)-trien-17-one
SpectraBase Compound ID LBOfqxAhNFT
InChI InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3
InChIKey BCWWDWHFBMPLFQ-UHFFFAOYSA-N
Mol Weight 284.4 g/mol
Molecular Formula C19H24O2
Exact Mass 284.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qAwnHu5wm
Name Estrone ME @
Classification Estrogen
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Exact Mass 284.177630011 u
Formula C19H24O2
InChI InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3
InChIKey BCWWDWHFBMPLFQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 284.399 g/mol
SMILES C12(C(C3C(c4c(cc(OC)cc4)CC3)CC1)CCC2=O)C
SPLASH splash10-01qj-2920000000-a1b5b85afcfb15eb345f
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
Synonyms Ethinylestradiol -HCCH ME
Technique GC/MS
Wiley ID MMPW6e_5206