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1,8-Bis(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)octa-3,5-diyne
SpectraBase Compound ID GQtDUTvPfKg
InChI InChI=1S/C26H26O4/c1-15-17(3)25(29)21(19(5)23(15)27)13-11-9-7-8-10-12-14-22-20(6)24(28)16(2)18(4)26(22)30/h11-14H2,1-6H3
InChIKey RJOQFDMZVQPZFE-UHFFFAOYSA-N
Mol Weight 402.49 g/mol
Molecular Formula C26H26O4
Exact Mass 402.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B28kf4UKUts
Name 1,8-Bis(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)octa-3,5-diyne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O4
InChI InChI=1S/C26H26O4/c1-15-17(3)25(29)21(19(5)23(15)27)13-11-9-7-8-10-12-14-22-20(6)24(28)16(2)18(4)26(22)30/h11-14H2,1-6H3
InChIKey RJOQFDMZVQPZFE-UHFFFAOYSA-N
Molecular Weight 402.490 g/mol
SMILES C1(=C(C(=O)C(=C(C1=O)C)CCC#CC#CCCC1=C(C(=O)C(=C(C1=O)C)C)C)C)C
SPLASH splash10-0udr-0322900000-ca1aaa906bab95afb78e
Source of Spectrum F-56-6790-4
Synonyms 2,3,5-trimethyl-6-[8-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-3,5-octadiynyl]benzo-1,4-quinone
Wiley ID 858363