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1,3,5-Cycloheptatriene, 1-(8-methyl-1,3,5,7-decatetraen-9-ynyl)-6-(6-methyl-1,3,5-octatrien-7-ynyl)-, (E,E,Z,Z,E,E,E)-
SpectraBase Compound ID FWUvOZFfJBG
InChI InChI=1S/C27H26/c1-5-24(3)17-11-8-7-9-13-19-26-21-15-16-22-27(23-26)20-14-10-12-18-25(4)6-2/h1-2,7-22H,23H2,3-4H3/b9-7+,11-8+,12-10+,19-13+,20-14-,24-17+,25-18+
InChIKey LSZNUHOOFDZMKM-GBQPKVTOSA-N
Mol Weight 350.51 g/mol
Molecular Formula C27H26
Exact Mass 350.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rVERlD6Q0S
Name 1,3,5-Cycloheptatriene, 1-(8-methyl-1,3,5,7-decatetraen-9-ynyl)-6-(6-methyl-1,3,5-octatrien-7-ynyl)-, (E,E,Z,Z,E,E,E)-
CAS Registry Number 107182-17-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26
InChI InChI=1S/C27H26/c1-5-24(3)17-11-8-7-9-13-19-26-21-15-16-22-27(23-26)20-14-10-12-18-25(4)6-2/h1-2,7-22H,23H2,3-4H3/b9-7+,11-8+,12-10+,19-13+,20-14-,24-17+,25-18+
InChIKey LSZNUHOOFDZMKM-GBQPKVTOSA-N
Molecular Weight 350.505 g/mol
SMILES C(#C)\C(=C\C=C\C=C/C1=CC=CC=C(C1)\C=C\C=C\C=C\C=C\(C#C)C)C
SPLASH splash10-0f6x-9007000000-2cf4258af081174486b6
Source of Spectrum KC-1987-841-3
Synonyms 1-(6-Methyloct-1,3,5-triene-7-ynyl)-6-(8-methyldeca-1,3,5,7-tetraen-9-ynyl)cyclohepta-1,3,5-triene 1-[(1E,3E,5E,7E)-8-methyl-1,3,5,7-decatetraen-9-ynyl]-6-[(1Z,3E,5E)-6-methyl-1,3,5-octatrien-7-ynyl]-1,3,5-cycloheptatriene
Wiley ID 1342407