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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
Mol Weight 848.2 g/mol
Molecular Formula C61H69NO2
Exact Mass 847.53283 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Z9yQKS6tR6
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 13C
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_013492