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1-Butyl-2-(1,3-cyclooctadien-1-yl)-1,3-cyclooctadiene
SpectraBase Compound ID 8bphDeFmXlz
InChI InChI=1S/C20H30/c1-2-3-13-18-14-11-7-8-12-17-20(18)19-15-9-5-4-6-10-16-19/h5,9,12,15,17H,2-4,6-8,10-11,13-14,16H2,1H3/b9-5-,17-12-,19-15+,20-18+
InChIKey IOFPCSGSBWZPBO-PXAOVEPISA-N
Mol Weight 270.46 g/mol
Molecular Formula C20H30
Exact Mass 270.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EMWCLmTqcn
Name 1-Butyl-2-(1,3-cyclooctadien-1-yl)-1,3-cyclooctadiene
Alternate Name(s) (1E,1'E,3Z,7'Z)-2'-butyl-[1,1'-bi(cyclooctane)]-1,1',3,7'-tetraene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30
InChI InChI=1S/C20H30/c1-2-3-13-18-14-11-7-8-12-17-20(18)19-15-9-5-4-6-10-16-19/h5,9,12,15,17H,2-4,6-8,10-11,13-14,16H2,1H3/b9-5-,17-12-,19-15+,20-18+
InChIKey IOFPCSGSBWZPBO-PXAOVEPISA-N
Literature Reference DOI 10.1002/cber.19801130707
Molecular Weight 270.460 g/mol
SMILES C1\C=C/C(=C\(CCC1)CCCC)\C1=C\C=C/CCCC1
SPLASH splash10-054o-9200000000-5f40d7a48a56ff5b81b8
Source of Spectrum K-113-2393-14
Wiley ID 1792768