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2'-Fluorohexestrol
SpectraBase Compound ID JqALY2kaZbe
InChI InChI=1S/C18H21FO2/c1-3-15(12-5-7-13(20)8-6-12)16(4-2)17-10-9-14(21)11-18(17)19/h5-11,15-16,20-21H,3-4H2,1-2H3
InChIKey IAPPJVNROYTBOR-UHFFFAOYSA-N
Mol Weight 288.36 g/mol
Molecular Formula C18H21FO2
Exact Mass 288.152558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChXosYUDyxH
Name 2'-Fluorohexestrol
CAS Registry Number 77153-71-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21FO2
InChI InChI=1S/C18H21FO2/c1-3-15(12-5-7-13(20)8-6-12)16(4-2)17-10-9-14(21)11-18(17)19/h5-11,15-16,20-21H,3-4H2,1-2H3
InChIKey IAPPJVNROYTBOR-UHFFFAOYSA-N
Molecular Weight 288.362 g/mol
SMILES Oc1ccc(C(C(c2ccc(cc2F)O)CC)CC)cc1
SPLASH splash10-014i-0900000000-ae3173497ada2fcf222d
Source of Spectrum J-46-2527-0
Synonyms 4-[1-ethyl-2-(4-hydroxyphenyl)butyl]-3-fluorophenol 3-Fluoro-4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol 3-Fluoranyl-4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol
Wiley ID 1291937