1,18(1,3)-BIS-[2-(DIHYDROXYBORO)-BENZENA]-CYCLO-[16.16]-TETRATRIACONTAPHANE

SpectraBase Compound ID	Ikz0NMviWwP
InChI	InChI=1S/C40H66B2O8/c43-41(44)39-35-27-25-29-37(39)49-33-23-19-15-11-7-3-4-8-12-16-20-24-34-50-38-30-26-28-36(40(38)42(45)46)48-32-22-18-14-10-6-2-1-5-9-13-17-21-31-47-35/h25-30,43-46H,1-24,31-34H2
InChIKey	IIRGOAJGGOPPBO-UHFFFAOYSA-N Google Search
Mol Weight	696.6 g/mol
Molecular Formula	C40H66B2O8
Exact Mass	696.494379 g/mol

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SpectraBase Spectrum ID	8Fsfvnf9yvU
Name	1,18(1,3)-Bis[2-(dihydroxyboro)benzacyclo[16.16]tetratriacontaphane
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C40H66B2O8
InChI	InChI=1S/C40H66B2O8/c43-41(44)39-35-27-25-29-37(39)49-33-23-19-15-11-7-3-4-8-12-16-20-24-34-50-38-30-26-28-36(40(38)42(45)46)48-32-22-18-14-10-6-2-1-5-9-13-17-21-31-47-35/h25-30,43-46H,1-24,31-34H2
InChIKey	IIRGOAJGGOPPBO-UHFFFAOYSA-N
Molecular Weight	696.580 g/mol
SMILES	OB(c1c2OCCCCCCCCCCCCCCOc3c(B(O)O)c(OCCCCCCCCCCCCCCOc1ccc2)ccc3)O
SPLASH	splash10-08fr-0900008000-dac2021a2341311a0d62
Source of Spectrum	K1-0-914-12
Wiley ID	1588400