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Hexestrol
SpectraBase Compound ID AwBJRvlwfqc
InChI InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3
InChIKey PBBGSZCBWVPOOL-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1ixnDYYLQm
Name 4-[1-ethyl-2-(4-hydroxyphenyl)butyl]phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3
InChIKey PBBGSZCBWVPOOL-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202105692
Molecular Weight 270.372 g/mol
SMILES Oc1ccc(C(C(c2ccc(cc2)O)CC)CC)cc1
SPLASH splash10-000i-0900000000-1045125f7f7089fcde95
Source of Spectrum ACI-60-SM20-20-3
Wiley ID 1882593