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Benzestrol
SpectraBase Compound ID FxY3bGo7cLF
InChI InChI=1S/C20H26O2/c1-4-19(14(3)15-6-10-17(21)11-7-15)20(5-2)16-8-12-18(22)13-9-16/h6-14,19-22H,4-5H2,1-3H3
InChIKey DUTFBSAKKUNBAL-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 GIHQxAb9Lq8
Name Benzestrol
CAS Registry Number 85-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-4-19(14(3)15-6-10-17(21)11-7-15)20(5-2)16-8-12-18(22)13-9-16/h6-14,19-22H,4-5H2,1-3H3
InChIKey DUTFBSAKKUNBAL-UHFFFAOYSA-N
Molecular Weight 298.426 g/mol
SMILES Oc1ccc(C(C(C(c2ccc(cc2)O)C)CC)CC)cc1
SPLASH splash10-0abi-1900000000-29c0b73c7ec1e08b2ea8
Synonyms 4,4'-(1,2-Diethyl-3-methyl-1,3-propanediyl)bisphenol 4,4'-(1,2-Diethyl-3-methyltrimethylene)diphenol 4-[2-ethyl-3-(4-hydroxyphenyl)-1-methyl-pentyl]phenol 4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol Benzestrolo Benzestrolum Benzoestrolum Chemestrogen Ocestrol Octoestrolum Octofollin Phenol, 4,4'-(1,2-diethyl-3-methyl-1,3-propanediyl)bis- AI3-23191
Wiley ID 1509067