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1-[(1E,3E,5E,7E)-8-(1-Azulenyl)-1,3,5,7-octatetraenyl]azulene
SpectraBase Compound ID 2pUc4zEyvTf
InChI InChI=1S/C28H22/c1(3-7-13-23-19-21-25-15-9-5-11-17-27(23)25)2-4-8-14-24-20-22-26-16-10-6-12-18-28(24)26/h1-22H/b3-1+,4-2+,13-7+,14-8+
InChIKey DQQOOHHKTWPZPS-FPPPDJHPSA-N
Mol Weight 358.48 g/mol
Molecular Formula C28H22
Exact Mass 358.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fWcjCRmngC
Name 1-[(1E,3E,5E,7E)-8-(1-Azulenyl)-1,3,5,7-octatetraenyl]azulene
CAS Registry Number 94154-54-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22
InChI InChI=1S/C28H22/c1(3-7-13-23-19-21-25-15-9-5-11-17-27(23)25)2-4-8-14-24-20-22-26-16-10-6-12-18-28(24)26/h1-22H/b3-1+,4-2+,13-7+,14-8+
InChIKey DQQOOHHKTWPZPS-FPPPDJHPSA-N
Molecular Weight 358.484 g/mol
SMILES c1(\C=C\C=C\C=C\C=C\c2c3cccccc3cc2)c2cccccc2cc1
SPLASH splash10-0a6u-1964000000-c020aeb35a2b3faf6517
Source of Spectrum W6-1989-38515-27021
Synonyms 1,8-Bis(1-azulenyl)octa-1,3,5,7-tetraene 1-[(1E,3E,5E,7E)-8-(1-azulenyl)octa-1,3,5,7-tetraenyl]azulene 1-[(1E,3E,5E,7E)-8-azulen-1-ylocta-1,3,5,7-tetraenyl]azulene
Wiley ID 141380