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macrocycle [4',4'-Dibenzoyl-3,6-(ethendiylene)-9,11;20,22-bis(propendiylene)-1,8,12,19-tetraoxadocosene]
SpectraBase Compound ID J9O2bNrwldD
InChI InChI=1S/C40H36O6/c41-39(31-11-5-3-6-12-31)35-21-19-33-25-37(35)43-23-9-1-2-10-24-44-38-26-34(46-28-30-17-15-29(16-18-30)27-45-33)20-22-36(38)40(42)32-13-7-4-8-14-32/h3-8,11-22,25-26H,1-2,9-10,23-24,27-28H2
InChIKey XWQYQCBHGGDCLJ-UHFFFAOYSA-N
Mol Weight 612.7 g/mol
Molecular Formula C40H36O6
Exact Mass 612.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FoT56VFvBpo
Name macrocycle [4',4'-Dibenzoyl-3,6-(ethendiylene)-9,11;20,22-bis(propendiylene)-1,8,12,19-tetraoxadocosene]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H36O6
InChI InChI=1S/C40H36O6/c41-39(31-11-5-3-6-12-31)35-21-19-33-25-37(35)43-23-9-1-2-10-24-44-38-26-34(46-28-30-17-15-29(16-18-30)27-45-33)20-22-36(38)40(42)32-13-7-4-8-14-32/h3-8,11-22,25-26H,1-2,9-10,23-24,27-28H2
InChIKey XWQYQCBHGGDCLJ-UHFFFAOYSA-N
Molecular Weight 612.722 g/mol
SMILES c1(C(=O)c2ccccc2)c2cc(OCc3ccc(COc4ccc(c(OCCCCCCO2)c4)C(=O)c2ccccc2)cc3)cc1
SPLASH splash10-0n29-0916027000-dc548a897016b380edcd
Source of Spectrum AT-41-1396-2
Wiley ID 854718