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1,18(1,3)-bis-(2-Hydroxybenzena)-cyclo-[16.16]-tetratriacontaphane
SpectraBase Compound ID 55DNz6QdwoN
InChI InChI=1S/C40H64O6/c41-39-35-27-25-29-37(39)45-33-23-19-15-11-7-3-4-8-12-16-20-24-34-46-38-30-26-28-36(40(38)42)44-32-22-18-14-10-6-2-1-5-9-13-17-21-31-43-35/h25-30,41-42H,1-24,31-34H2
InChIKey BGWOPQVSWIUYMB-UHFFFAOYSA-N
Mol Weight 640.9 g/mol
Molecular Formula C40H64O6
Exact Mass 640.47029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mEaWGytBXV
Name 1,18(1,3)-Bis(2-hydroxybenza)cyclo[16.16]tetratriacontaphane
Comments Less than 3 mono-isotopic peaks
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Formula C40H64O6
InChI InChI=1S/C40H64O6/c41-39-35-27-25-29-37(39)45-33-23-19-15-11-7-3-4-8-12-16-20-24-34-46-38-30-26-28-36(40(38)42)44-32-22-18-14-10-6-2-1-5-9-13-17-21-31-43-35/h25-30,41-42H,1-24,31-34H2
InChIKey BGWOPQVSWIUYMB-UHFFFAOYSA-N
Molecular Weight 640.946 g/mol
SMILES Oc1c2cccc1OCCCCCCCCCCCCCCOc1c(c(OCCCCCCCCCCCCCCO2)ccc1)O
SPLASH splash10-0006-0300009000-309fc8119c87ebdee030
Source of Spectrum K1-0-914-13
Wiley ID 1588399