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2-[3',7',11',15',19',23',27',31'-Octamethyldotriaconta-2',6',10',14',18',22',26',30'-octtaenyl]-1,4-benzoquinone
SpectraBase Compound ID 3Zmb6E8sHyh
InChI InChI=1S/C46H68O2/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35H,10-16,18,20,22,24,26,28,30,32H2,1-9H3/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+
InChIKey MWAVYEPKKNFHCH-LQOKPSQISA-N
Mol Weight 653.0 g/mol
Molecular Formula C46H68O2
Exact Mass 652.521931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kfl4JiCspo
Name 2-[3',7',11',15',19',23',27',31'-Octamethyldotriaconta-2',6',10',14',18',22',26',30'-octtaenyl]-1,4-benzoquinone
Alternate Name(s) 2-[3',7',11',15',19',23',27',31'-Octamethyldotriaconta-2',6',10',14',18',22',26',30'-octaenyl]-1,4-benzoquinone 2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]-1,4-benzoquinone 2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-1,4-dione
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Formula C46H68O2
InChI InChI=1S/C46H68O2/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35H,10-16,18,20,22,24,26,28,30,32H2,1-9H3/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+
InChIKey MWAVYEPKKNFHCH-LQOKPSQISA-N
Molecular Weight 653.048 g/mol
SMILES C1(=CC(=O)C=CC1=O)C\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C)C)C)C
SPLASH splash10-03xr-7900000000-3a312575a01aa8042635
Source of Spectrum AC-134-82-8
Wiley ID 812434