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Benzene, 1,1'-(4-ethynyl-1,4-dimethyl-1,2-butadiene-1,4-diyl)bis-
SpectraBase Compound ID 8rNcK8NlDrO
InChI InChI=1S/C20H18/c1-4-20(3,19-13-9-6-10-14-19)16-15-17(2)18-11-7-5-8-12-18/h1,5-14,16H,2-3H3
InChIKey BSHIMLSFOKYYNX-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C20H18
Exact Mass 258.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTEKMa7QtZI
Name Benzene, 1,1'-(4-ethynyl-1,4-dimethyl-1,2-butadiene-1,4-diyl)bis-
CAS Registry Number 61423-07-2
Comments Less than 3 mono-isotopic peaks
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Formula C20H18
InChI InChI=1S/C20H18/c1-4-20(3,19-13-9-6-10-14-19)16-15-17(2)18-11-7-5-8-12-18/h1,5-14,16H,2-3H3
InChIKey BSHIMLSFOKYYNX-UHFFFAOYSA-N
Molecular Weight 258.364 g/mol
SMILES C(=C=C(c1ccccc1)C)C(C#C)(c1ccccc1)C
SPLASH splash10-004i-0910000000-b84fea6fa72908ce133f
Source of Spectrum AC-1976-539-0
Synonyms (3-methyl-6-phenylhepta-4,5-dien-1-yn-3-yl)benzene (3-methyl-6-phenyl-hepta-4,5-dien-1-yn-3-yl)benzene
Wiley ID 1262386