2,6-Bis(4-tert-butylphenyl)-4-[2,4,6-tris(4-tert-butylphenyl)pyridinio]phenolate hydrate

SpectraBase Compound ID	HZU4Ef8Hvl2
InChI	InChI=1S/C61H69NO.O/c1-57(2,3)46-26-16-40(17-27-46)45-36-54(43-22-32-49(33-23-43)60(10,11)12)62(55(37-45)44-24-34-50(35-25-44)61(13,14)15)51-38-52(41-18-28-47(29-19-41)58(4,5)6)56(63)53(39-51)42-20-30-48(31-21-42)59(7,8)9;/h16-39H,1-15H3;
InChIKey	IOLDCZLFCCFCED-UHFFFAOYSA-N Google Search
Mol Weight	848.2 g/mol
Molecular Formula	C61H69NO2
Exact Mass	847.53283 g/mol

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SpectraBase Spectrum ID	KO4K1p2nY2Z
Name	2,6-Bis(4-tert-butylphenyl)-4-[2,4,6-tris(4-tert-butylphenyl)pyridinio]phenolate hydrate
Source of Sample	Sigma-Aldrich Co. LLC.
Catalog Number	273058
Copyright	Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C61H69NO2
InChI	InChI=1S/C61H69NO.O/c1-57(2,3)46-26-16-40(17-27-46)45-36-54(43-22-32-49(33-23-43)60(10,11)12)62(55(37-45)44-24-34-50(35-25-44)61(13,14)15)51-38-52(41-18-28-47(29-19-41)58(4,5)6)56(63)53(39-51)42-20-30-48(31-21-42)59(7,8)9;/h16-39H,1-15H3;
InChIKey	IOLDCZLFCCFCED-UHFFFAOYSA-N
Molecular Weight	848.228 g/mol
Observed nucleus	1H
Solvent	DMSO-d6
Source of Spectrum	Sigma-Aldrich Co. LLC.
Wiley ID	SIAL_1HNMR_013388