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Hepta-4,6-diynyl (2E,4E)-undeca-2,4-dien-8,10-diynoate
SpectraBase Compound ID CzS51hVKD5x
InChI InChI=1S/C18H16O2/c1-3-5-7-9-10-11-12-14-16-18(19)20-17-15-13-8-6-4-2/h1-2,11-12,14,16H,9-10,13,15,17H2/b12-11+,16-14+
InChIKey XTMBFZRNGJTOFE-SIDAKMONSA-N
Mol Weight 264.32 g/mol
Molecular Formula C18H16O2
Exact Mass 264.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5CAcnWQ0bU
Name Hepta-4,6-diynyl (2E,4E)-undeca-2,4-dien-8,10-diynoate
Alternate Name(s) Hepta-4,6-diyn-1-yl (2E,4E)-undeca-2,4-dien-8,10-diynoate
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Formula C18H16O2
InChI InChI=1S/C18H16O2/c1-3-5-7-9-10-11-12-14-16-18(19)20-17-15-13-8-6-4-2/h1-2,11-12,14,16H,9-10,13,15,17H2/b12-11+,16-14+
InChIKey XTMBFZRNGJTOFE-SIDAKMONSA-N
Literature Reference DOI 10.1002/cber.19751080305
Molecular Weight 264.324 g/mol
SMILES C(CC#CC#C)COC(\C=C\C=C\CCC#CC#C)=O
SPLASH splash10-03di-9610000000-f6ee961fe385b325c621
Source of Spectrum K-108-742-10
Wiley ID 1793873