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2,2'-((1E,4E)-7-phenylhepta-1,4-diene-1,3-diyl)bis(methylbenzene)
SpectraBase Compound ID 2KO0kf0yVyV
InChI InChI=1S/C27H28/c1-22-12-6-9-17-25(22)20-21-26(27-19-11-7-13-23(27)2)18-10-8-16-24-14-4-3-5-15-24/h3-7,9-15,17-21,26H,8,16H2,1-2H3/b18-10+,21-20+
InChIKey SOTFGLLHNDISFX-ODXLBDHHSA-N
Mol Weight 352.52 g/mol
Molecular Formula C27H28
Exact Mass 352.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTHFYqPfqaL
Name 2,2'-((1E,4E)-7-phenylhepta-1,4-diene-1,3-diyl)bis(methylbenzene)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28
InChI InChI=1S/C27H28/c1-22-12-6-9-17-25(22)20-21-26(27-19-11-7-13-23(27)2)18-10-8-16-24-14-4-3-5-15-24/h3-7,9-15,17-21,26H,8,16H2,1-2H3/b18-10+,21-20+
InChIKey SOTFGLLHNDISFX-ODXLBDHHSA-N
Literature Reference DOI 10.1002/anie.201407000
Molecular Weight 352.521 g/mol
SMILES c1c(c(ccc1)\C=C\C(\C=C\CCc1ccccc1)c1c(cccc1)C)C
SPLASH splash10-0006-9310000000-71fcbf0a9982c33999ac
Source of Spectrum ACI-53-SMS11-(E)_4g
Wiley ID 1782788