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4-Butyl-5-(hex-1-ynyl)octa-1,4,7-triene-1,8-diyl)dibenzene
SpectraBase Compound ID DYcd9fLlUGp
InChI InChI=1S/C30H36/c1-3-5-7-14-24-30(26-16-22-28-19-12-9-13-20-28)29(23-6-4-2)25-15-21-27-17-10-8-11-18-27/h8-13,15-22H,3-7,23,25-26H2,1-2H3/b21-15+,22-16+,30-29+
InChIKey XTIRXDAMTQKYQC-WAHPGOTGSA-N
Mol Weight 396.6 g/mol
Molecular Formula C30H36
Exact Mass 396.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KlR8VmY2Gn
Name 4-Butyl-5-(hex-1-ynyl)octa-1,4,7-triene-1,8-diyl)dibenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36
InChI InChI=1S/C30H36/c1-3-5-7-14-24-30(26-16-22-28-19-12-9-13-20-28)29(23-6-4-2)25-15-21-27-17-10-8-11-18-27/h8-13,15-22H,3-7,23,25-26H2,1-2H3/b21-15+,22-16+,30-29+
InChIKey XTIRXDAMTQKYQC-WAHPGOTGSA-N
Molecular Weight 396.618 g/mol
SMILES C(\C(=C\(CCCC)C\C=C\c1ccccc1)C\C=C\c1ccccc1)#CCCCC
SPLASH splash10-0a4j-9009000000-a2b4eab5cca61b18b696
Source of Spectrum ASC-352-2887/SM13-9a
Synonyms ((1E,4Z,7E)-4-butyl-5-(hex-1-yn-1-yl)octa-1,4,7-triene-1,8-diyl)dibenzene
Wiley ID 1764104