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(E,E)-1,8-Dicyclohexylocta-1,7-diene-3,6-dione
SpectraBase Compound ID 23ZfXs9YHqn
InChI InChI=1S/C20H30O2/c21-19(13-11-17-7-3-1-4-8-17)15-16-20(22)14-12-18-9-5-2-6-10-18/h11-14,17-18H,1-10,15-16H2/b13-11+,14-12+
InChIKey FIFGEXNFKONXLA-PHEQNACWSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYpcihIG5G5
Name (E,E)-1,8-Dicyclohexylocta-1,7-diene-3,6-dione
Appearance Colorless solid
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Formula C20H30O2
InChI InChI=1S/C20H30O2/c21-19(13-11-17-7-3-1-4-8-17)15-16-20(22)14-12-18-9-5-2-6-10-18/h11-14,17-18H,1-10,15-16H2/b13-11+,14-12+
InChIKey FIFGEXNFKONXLA-PHEQNACWSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901043
Quality 238
Reported Formula C20H30O2
SMILES C1(CCCCC1)\C=C\C(CCC(\C=C\C1CCCCC1)=O)=O
SPLASH splash10-001i-7900000000-8bf000c1a5a2b8843199
Source of Spectrum K1-2019-6256-4l (DOI: 10.1002/ejoc.201901043)
Thin-Layer Chromatography 0.43 (hexane/EtOAc, 10:1)
Wiley ID 1892229