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Methyl 4-{3,6- dioxopentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2(7),4,9,11,13,15(20),16,18-octaen-4-yl}cyclohexane-1-carboxylate
SpectraBase Compound ID IyxvzsOTEgQ
InChI InChI=1S/C28H24O4/c1-32-28(31)16-12-10-15(11-13-16)21-14-22(29)25-23-17-6-2-4-8-19(17)24(26(25)27(21)30)20-9-5-3-7-18(20)23/h2-9,14-16,23-24H,10-13H2,1H3/t15?,16?,23-,24+
InChIKey ITOOXZCONSQIQQ-WYFPAHCPSA-N
Mol Weight 424.5 g/mol
Molecular Formula C28H24O4
Exact Mass 424.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2J8ouiPuk6u
Name Methyl 4-{3,6- dioxopentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2(7),4,9,11,13,15(20),16,18-octaen-4-yl}cyclohexane-1-carboxylate
Alternate Name(s) cis-1,4,9,10-Tetrahydro-2-[4'-(methoxycarbonyl)cyclohexyl]-9,10-(o-benzeno)anthracene-1,4-dione Methyl 4-[3,6-dioxopentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2(7),4,9,11,13,15,17,19-octaen-4-yl]cyclohexanecarboxylate trans-1,4,9,10-Tetrahydro-2-[4'-(methoxycarbonyl)cyclohexyl]-9,10-(o-benzeno)anthracene-1,4-dione
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Formula C28H24O4
InChI InChI=1S/C28H24O4/c1-32-28(31)16-12-10-15(11-13-16)21-14-22(29)25-23-17-6-2-4-8-19(17)24(26(25)27(21)30)20-9-5-3-7-18(20)23/h2-9,14-16,23-24H,10-13H2,1H3/t15?,16?,23-,24+
InChIKey ITOOXZCONSQIQQ-WYFPAHCPSA-N
Molecular Weight 424.496 g/mol
SMILES C12=C([C@]3([H])c4c([C@]2(c2c3cccc2)[H])cccc4)C(=O)C=C(C1=O)C1CCC(C(=O)OC)CC1
SPLASH splash10-00di-0031900000-78d7f066a58827718b50
Source of Spectrum U-1997-1959-28
Wiley ID 770195