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5-Hexenoic acid, 6-[2-(1-octynyl)phenyl]-, (E)-
SpectraBase Compound ID FvuZnI4CgIY
InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-8-13-18-15-11-12-16-19(18)14-9-7-10-17-20(21)22/h9,11-12,14-16H,2-7,10,17H2,1H3,(H,21,22)/b14-9+
InChIKey JODFLDQOFIELSJ-NTEUORMPSA-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 9qerpuxZAA2
Name 5-Hexenoic acid, 6-[2-(1-octynyl)phenyl]-, (E)-
CAS Registry Number 107586-16-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-8-13-18-15-11-12-16-19(18)14-9-7-10-17-20(21)22/h9,11-12,14-16H,2-7,10,17H2,1H3,(H,21,22)/b14-9+
InChIKey JODFLDQOFIELSJ-NTEUORMPSA-N
Molecular Weight 298.426 g/mol
SMILES OC(CCC\C=C\c1c(C#CCCCCCC)cccc1)=O
SPLASH splash10-0a4l-2900000000-36b1aa16c1654ffebbce
Source of Spectrum KC-1989-480-10
Synonyms (E)-6-(2-oct-1-ynylphenyl)-5-hexenoic acid
Wiley ID 1301525