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2,7-(1,4,7,18,21,24-Hexaoxa-8,11;14,17-diethenylenecyclopentacos-8,10,12,14,16-pentaene)dibenzo[b,d]furan-9-one [crowno-6-cyclophane]
SpectraBase Compound ID 3ksmIVZtFWi
InChI InChI=1S/C39H40O9/c40-39-37-27-33-11-13-35(37)36-14-12-34(28-38(36)39)48-26-22-44-18-16-42-20-24-46-32-9-5-30(6-10-32)2-1-29-3-7-31(8-4-29)45-23-19-41-15-17-43-21-25-47-33/h1-14,27-28H,15-26H2/b2-1+
InChIKey MMLIVMKHIDPTAS-OWOJBTEDSA-N
Mol Weight 652.7 g/mol
Molecular Formula C39H40O9
Exact Mass 652.267233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wSx51xXqEv
Name 2,7-(1,4,7,18,21,24-Hexaoxa-8,11;14,17-diethenylenecyclopentacos-8,10,12,14,16-pentaene)dibenzo[b,d]furan-9-one [crowno-6-cyclophane]
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Formula C39H40O9
InChI InChI=1S/C39H40O9/c40-39-37-27-33-11-13-35(37)36-14-12-34(28-38(36)39)48-26-22-44-18-16-42-20-24-46-32-9-5-30(6-10-32)2-1-29-3-7-31(8-4-29)45-23-19-41-15-17-43-21-25-47-33/h1-14,27-28H,15-26H2/b2-1+
InChIKey MMLIVMKHIDPTAS-OWOJBTEDSA-N
Molecular Weight 652.740 g/mol
SMILES c12C(c3cc4OCCOCCOCCOc5ccc(cc5)\C=C\c5ccc(OCCOCCOCCOc(c1)ccc2-c3cc4)cc5)=O
SPLASH splash10-0udi-0000009000-f30fba0fb461effcc4de
Source of Spectrum Y1-45-2930-5
Wiley ID 1621929