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(3-allylhepta-3,6-dien-1-yne-1,4-diyl)dibenzene
SpectraBase Compound ID 7du8dLFOoyf
InChI InChI=1S/C22H20/c1-3-11-20(18-17-19-13-7-5-8-14-19)22(12-4-2)21-15-9-6-10-16-21/h3-10,13-16H,1-2,11-12H2/b22-20+
InChIKey XPRIMDTVJBJXEW-LSDHQDQOSA-N
Mol Weight 284.4 g/mol
Molecular Formula C22H20
Exact Mass 284.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNh4FqYQ8zL
Name (3-allylhepta-3,6-dien-1-yne-1,4-diyl)dibenzene
Alternate Name(s) (E)-(3-allylhepta-3,6-dien-1-yne-1,4-diyl)dibenzene [(4E)-5-(2-phenylethynyl)octa-1,4,7-trien-4-yl]benzene
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Formula C22H20
InChI InChI=1S/C22H20/c1-3-11-20(18-17-19-13-7-5-8-14-19)22(12-4-2)21-15-9-6-10-16-21/h3-10,13-16H,1-2,11-12H2/b22-20+
InChIKey XPRIMDTVJBJXEW-LSDHQDQOSA-N
Literature Reference DOI 10.1002/adsc.201000430
Molecular Weight 284.402 g/mol
SMILES c1(\C(=C/(CC=C)C#Cc2ccccc2)CC=C)ccccc1
SPLASH splash10-000i-0290000000-c3ec48c583f33362bbc3
Source of Spectrum ASC-352-2887/SM11-3e
Wiley ID 1764099