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Diethyl all-cis-1,2,3-Tris(4-ethoxycarbonylphenyl)-2,3-dihydro-1H-cyclopenta[l]phenanthrene-6,9-dicarboxylate
SpectraBase Compound ID 5OyBexpmlF4
InChI InChI=1S/C50H46O10/c1-6-56-46(51)32-17-11-29(12-18-32)41-42(30-13-19-33(20-14-30)47(52)57-7-2)44-37-25-23-35(49(54)59-9-4)27-39(37)40-28-36(50(55)60-10-5)24-26-38(40)45(44)43(41)31-15-21-34(22-16-31)48(53)58-8-3/h11-28,41-43H,6-10H2,1-5H3/t41-,42+,43-
InChIKey PPCYPOPAVOZRQL-RCNRKNMASA-N
Mol Weight 806.9 g/mol
Molecular Formula C50H46O10
Exact Mass 806.309098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSArmilds0u
Name Diethyl all-cis-1,2,3-Tris(4-ethoxycarbonylphenyl)-2,3-dihydro-1H-cyclopenta[l]phenanthrene-6,9-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C50H46O10
InChI InChI=1S/C50H46O10/c1-6-56-46(51)32-17-11-29(12-18-32)41-42(30-13-19-33(20-14-30)47(52)57-7-2)44-37-25-23-35(49(54)59-9-4)27-39(37)40-28-36(50(55)60-10-5)24-26-38(40)45(44)43(41)31-15-21-34(22-16-31)48(53)58-8-3/h11-28,41-43H,6-10H2,1-5H3/t41-,42+,43-
InChIKey PPCYPOPAVOZRQL-RCNRKNMASA-N
Molecular Weight 806.908 g/mol
SMILES c12c(c3ccc(cc3c3c2ccc(C(=O)OCC)c3)C(=O)OCC)[C@@](c2ccc(C(=O)OCC)cc2)([H])[C@]([C@@]1(c1ccc(C(=O)OCC)cc1)[H])(c1ccc(C(=O)OCC)cc1)[H]
SPLASH splash10-08fr-0000000970-a52d15bc7df35399fa54
Source of Spectrum U1-2010-6090-11c
Wiley ID 1664539