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(E/Z)-1,8-Dicyclohexylocta-1,7-diene-3,6-dione
SpectraBase Compound ID JCFcBqP7XQq
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
InChIKey FIFGEXNFKONXLA-UHFFFAOYSA-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 JSO0ycMDdoi
Name (E/Z)-1,8-Dicyclohexylocta-1,7-diene-3,6-dione
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
InChIKey FIFGEXNFKONXLA-UHFFFAOYSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901043
Quality 198
Reported Formula C20H30O2
SMILES C1(CCCCC1)C=CC(CCC(C=CC1CCCCC1)=O)=O
SPLASH splash10-03di-2900000000-fb90f45cdcb78ccdfb1e
Source of Spectrum K1-2019-6256-4l (DOI: 10.1002/ejoc.201901043)
Thin-Layer Chromatography 0.41 (hexane/EtOAc, 10:1)
Wiley ID 1892227