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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
Mol Weight 586.9 g/mol
Molecular Formula C42H50O2
Exact Mass 586.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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)
Alternate Name(s) (+-)-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
Wiley ID 786093