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(E)-(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 Ew0olhrt60H
Name (E)-(3-allylhepta-3,6-dien-1-yne-1,4-diyl)dibenzene
Appearance Yellowish oil
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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
Instrument Name ThermoFisher Scientific ISQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200143
Quality 660
SMILES C=1C=CC=CC1\C(=C\(C#CC1=CC=CC=C1)CC=C)CC=C
SPLASH splash10-016u-3970000000-0c32fddbf815aeec7481
Source of Spectrum K1-2022-SM20-3aa (DOI: 10.1002/ejoc.202200143)
Wiley ID 1898602