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2,4,6-Heptatrienal, 7,7'-(1,3-butadiyne-1,4-diyldi-2,1-phenylene)bis-, (all-E)-

View entire compound with spectra: 1 MS (GC)

2,4,6-Heptatrienal, 7,7'-(1,3-butadiyne-1,4-diyldi-2,1-phenylene)bis-, (all-E)-
SpectraBase Compound ID FJkNmCVHSWh
InChI InChI=1S/C30H22O2/c31-25-15-5-1-3-7-17-27-19-9-11-21-29(27)23-13-14-24-30-22-12-10-20-28(30)18-8-4-2-6-16-26-32/h1-12,15-22,25-26H/b3-1-,4-2-,15-5-,16-6-,17-7-,18-8-
InChIKey XLRGBHXOFYEGBH-DFVNYKRKSA-N
Mol Weight 414.5 g/mol
Molecular Formula C30H22O2
Exact Mass 414.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfPByKd580J
Name 2,4,6-Heptatrienal, 7,7'-(1,3-butadiyne-1,4-diyldi-2,1-phenylene)bis-, (all-E)-
CAS Registry Number 107006-38-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22O2
InChI InChI=1S/C30H22O2/c31-25-15-5-1-3-7-17-27-19-9-11-21-29(27)23-13-14-24-30-22-12-10-20-28(30)18-8-4-2-6-16-26-32/h1-12,15-22,25-26H/b3-1-,4-2-,15-5-,16-6-,17-7-,18-8-
InChIKey XLRGBHXOFYEGBH-DFVNYKRKSA-N
Molecular Weight 414.504 g/mol
SMILES C(C#Cc1c(\C=C/C=C\C=C/C=O)cccc1)#Cc1c(\C=C/C=C\C=C/C=O)cccc1
SPLASH splash10-0002-0009500000-0f597486bcdd804fcfae
Source of Spectrum AJ-59-2214-26
Synonyms (2Z,4Z,6Z)-7-[2-(4-{2-[(1Z,3Z,5Z)-7-oxo-1,3,5-heptatrienyl]phenyl}-1,3-butadiynyl)phenyl]-2,4,6-heptatrienal 8,9:14,15-dibenzo-2,4,6,16,18,20-docosahexaene-10,12-diynedial
Wiley ID 1375836