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Methallenestril
SpectraBase Compound ID B9NH0ecwYlv
InChI InChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20)
InChIKey KHLJKRBMZVNZOC-UHFFFAOYSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7w6gJtzHWgd
Name Methallenestril
Comments (unverified)
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Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20)
InChIKey KHLJKRBMZVNZOC-UHFFFAOYSA-N
SMILES OC(C(C(c1cc2c(cc(cc2)OC)cc1)CC)(C)C)=O
SPLASH splash10-006t-6930000000-394907e9faece2192a0a
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences