meso-8,8'-(1,2-Dihydroxyethane-1,2-diyl)bis(5-tert-butyl[2.2]metacyclophane)

SpectraBase Compound ID	4pdlNmu4LWw
InChI	InChI=1S/C42H50O2/c1-41(2,3)35-23-31-17-13-27-9-7-10-28(21-27)14-18-32(24-35)37(31)39(43)40(44)38-33-19-15-29-11-8-12-30(22-29)16-20-34(38)26-36(25-33)42(4,5)6/h7-12,21-26,39-40,43-44H,13-20H2,1-6H3
InChIKey	OVWUINLJLHCHRN-UHFFFAOYSA-N Google Search
Mol Weight	586.9 g/mol
Molecular Formula	C42H50O2
Exact Mass	586.381081 g/mol

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SpectraBase Spectrum ID	7MqkZyUEw0H
Name	meso-8,8'-(1,2-Dihydroxyethane-1,2-diyl)bis(5-tert-butyl[2.2]metacyclophane)
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H50O2
InChI	InChI=1S/C42H50O2/c1-41(2,3)35-23-31-17-13-27-9-7-10-28(21-27)14-18-32(24-35)37(31)39(43)40(44)38-33-19-15-29-11-8-12-30(22-29)16-20-34(38)26-36(25-33)42(4,5)6/h7-12,21-26,39-40,43-44H,13-20H2,1-6H3
InChIKey	OVWUINLJLHCHRN-UHFFFAOYSA-N
Molecular Weight	586.860 g/mol
SMILES	OC(C(c1c2cc(cc1CCc1cc(CC2)ccc1)C(C)(C)C)O)c1c2cc(cc1CCc1cc(CC2)ccc1)C(C)(C)C
SPLASH	splash10-0a4i-9000000000-1d26c3bd7997b0640b90
Source of Spectrum	KC-0-1890-4
Synonyms	(+-)-8,8'-(1,2-Dihydroxyethane-1,2-diyl)bis(5-tert-butyl[2.2]metacyclophane)
Wiley ID	786093