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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 8WVZY1unCJf
Name Benzestrol
Comments (unverified)
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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
SMILES Oc1ccc(C(C(C(c2ccc(cc2)O)CC)CC)C)cc1
SPLASH splash10-0abi-2900000000-05cf140d0ce2308da1af
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences