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2-Hydroxy-stilbestrol
SpectraBase Compound ID 4iSlHW9WZg6
InChI InChI=1S/C18H22O3/c1-3-15(12-5-8-14(19)9-6-12)16(4-2)13-7-10-17(20)18(21)11-13/h5-11,15-16,19-21H,3-4H2,1-2H3
InChIKey KWYPVFQNTRXTSH-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 3TGXSSNvxA
Name 2-Hydroxy-stilbestrol
Alternate Name(s) 3'-Hydroxy-HES 3-(3',4'-Dihydroxyphenyl)-4-(p-hydroxyphenyl)-hexane 4-[1-ethyl-2-(4-hydroxyphenyl)butyl]benzene-1,2-diol 4-[4-(4-hydroxyphenyl)hexan-3-yl]benzene-1,2-diol
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Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-3-15(12-5-8-14(19)9-6-12)16(4-2)13-7-10-17(20)18(21)11-13/h5-11,15-16,19-21H,3-4H2,1-2H3
InChIKey KWYPVFQNTRXTSH-UHFFFAOYSA-N
Molecular Weight 286.371 g/mol
SMILES Oc1ccc(C(C(c2ccc(c(c2)O)O)CC)CC)cc1
SPLASH splash10-0f79-0900000000-74e1d246b627e9d070f7
Source of Spectrum CRT-11-410-2
Wiley ID 1709776