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Intramolecular dimer of Diethyl [2.2]paracyclophane-4,15-dipropenoate
SpectraBase Compound ID DqErB55VFKX
InChI InChI=1S/C26H28O4/c1-3-29-25(27)23-21-19-13-15-5-6-16-8-10-18(12-11-17(19)9-7-15)20(14-16)22(21)24(23)26(28)30-4-2/h7-10,13-14,21-24H,3-6,11-12H2,1-2H3/t21-,22+,23?,24?
InChIKey RLTUMDOYBPTVFH-UHFFFAOYSA-N
Mol Weight 404.51 g/mol
Molecular Formula C26H28O4
Exact Mass 404.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCtiwtOuWOS
Name Intramolecular dimer of Diethyl [2.2]paracyclophane-4,15-dipropenoate
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Formula C26H28O4
InChI InChI=1S/C26H28O4/c1-3-29-25(27)23-21-19-13-15-5-6-16-8-10-18(12-11-17(19)9-7-15)20(14-16)22(21)24(23)26(28)30-4-2/h7-10,13-14,21-24H,3-6,11-12H2,1-2H3/t21-,22+,23?,24?
InChIKey RLTUMDOYBPTVFH-UHFFFAOYSA-N
Molecular Weight 404.506 g/mol
SMILES [C@@]12([C@](c3c4ccc(c3)CCc3cc1c(CC4)cc3)(C(C2C(=O)OCC)C(=O)OCC)[H])[H]
SPLASH splash10-0699-1911000000-dba869ed04e9c8931a42
Source of Spectrum U-1995-1956-5
Synonyms Diethyl pentacyclo[8.8.2.0(3,16).0(4,7).0(8,13)]icosa-1(18),2,8,10,12,16-hexaene-5,6-dicarboxylate
Wiley ID 767863