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diethyl 3-benzoyloxy[6]paracyclophane-8,9-dicarboxylate
SpectraBase Compound ID G7fnP9XDNZi
InChI InChI=1S/C25H28O6/c1-3-29-24(27)21-17-11-8-12-20(31-23(26)19-9-6-5-7-10-19)16-15-18(14-13-17)22(21)25(28)30-4-2/h5-7,9-10,13-14,20H,3-4,8,11-12,15-16H2,1-2H3
InChIKey ODWUHYWTEHJTNU-UHFFFAOYSA-N
Mol Weight 424.49 g/mol
Molecular Formula C25H28O6
Exact Mass 424.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAkUQIUVHmB
Name diethyl 3-benzoyloxy[6]paracyclophane-8,9-dicarboxylate
CAS Registry Number 108547-84-8
Comments Less than 3 mono-isotopic peaks
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Formula C25H28O6
InChI InChI=1S/C25H28O6/c1-3-29-24(27)21-17-11-8-12-20(31-23(26)19-9-6-5-7-10-19)16-15-18(14-13-17)22(21)25(28)30-4-2/h5-7,9-10,13-14,20H,3-4,8,11-12,15-16H2,1-2H3
InChIKey ODWUHYWTEHJTNU-UHFFFAOYSA-N
Molecular Weight 424.493 g/mol
SMILES c1(c(C(=O)OCC)c2CCCC(OC(=O)c3ccccc3)CCc1cc2)C(=O)OCC
SPLASH splash10-0a4i-0900300000-27420f2ffba23937f110
Source of Spectrum K-119-310-5
Synonyms diethyl 4-(benzoyloxy)bicyclo[6.2.2]dodeca-1(10),8,11-triene-9,10-dicarboxylate
Wiley ID 1379353