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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 EsQqm7wl56B
Name Methallenestril
Alternate Name(s) .beta.-Ethyl-6-methoxy-.alpha.,.alpha.-dimethyl-2-naphthalenepropionic acid 2-Naphthalenepropanoic acid, .beta.-ethyl-6-methoxy-.alpha.,.alpha.-dimethyl- 2-Naphthalenepropionic acid, .beta.-ethyl-6-methoxy-.alpha.,.alpha.-dimethyl- 3-(6-Methoxy-2-naphthalenyl)-2,2-dimethylpentanoic acid 3-(6-Methoxy-2-naphthyl)-2,2-dimethyl-pentanoic acid 3-(6-Methoxy-2-naphthyl)-2,2-dimethyl-valeric acid 3-(6-Methoxy-2-naphthyl)-2,2-dimethylvaleriansaeure 3-(6-Methoxy-2-naphthyl)-3-ethyl-2,2-dimethylpropionsaeure 3-(6-Methoxynaphthalen-2-yl)-2,2-dimethyl-pentanoic acid Ercostrol Metalenestrilo Methallenestrilum Methallenestrol Methallenoestril Methallenoestrolum Novestrine Vallestril EINECS 208-232-6 HSDB 3358
CAS Registry Number 517-18-0
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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
Molecular Weight 286.371 g/mol
SMILES OC(C(C(c1cc2c(cc1)cc(OC)cc2)CC)(C)C)=O
SPLASH splash10-0002-0910000000-450bc8ec6ff720a1b2e6
Source of Spectrum JZ-1992-606-0
Wiley ID 1290167