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Diethyl (pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-ylmethyl)propanedioate
SpectraBase Compound ID GGy3IPj3njd
InChI InChI=1S/C28H26O4/c1-3-31-26(29)21(27(30)32-4-2)17-28-22-14-8-5-11-18(22)25(19-12-6-9-15-23(19)28)20-13-7-10-16-24(20)28/h5-16,21,25H,3-4,17H2,1-2H3
InChIKey WMUBRMFDJDMFRC-UHFFFAOYSA-N
Mol Weight 426.51 g/mol
Molecular Formula C28H26O4
Exact Mass 426.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WcNmaDT67d
Name Diethyl (pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-ylmethyl)propanedioate
Alternate Name(s) Diethyl 2-((9,10-dihydro-9,10-[1,2]benzenoanthracen-9-yl)methyl)malonate
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Formula C28H26O4
InChI InChI=1S/C28H26O4/c1-3-31-26(29)21(27(30)32-4-2)17-28-22-14-8-5-11-18(22)25(19-12-6-9-15-23(19)28)20-13-7-10-16-24(20)28/h5-16,21,25H,3-4,17H2,1-2H3
InChIKey WMUBRMFDJDMFRC-UHFFFAOYSA-N
Molecular Weight 426.512 g/mol
SMILES c12C3(c4c(cccc4)C(c2cccc1)c1c3cccc1)CC(C(=O)OCC)C(=O)OCC
SPLASH splash10-0gb9-1191100000-0a44d034c181083dd783
Source of Spectrum JX-2015-4-349
Wiley ID 1725792