3,3'-HEXAMETHYLENEBIS[2,2-DIPHENYL-2H-1,3,2-BENZOXAZABORINIUM] DIHYDROXIDE, INNER SALT

SpectraBase Compound ID	GtoRsCIb3T3
InChI	InChI=1S/C44H42B2N2O2/c1(19-33-47-35-37-21-15-17-31-43(37)49-45(39-23-7-3-8-24-39)40-25-9-4-10-26-40)2-20-34-48-36-38-22-16-18-32-44(38)50-46(41-27-11-5-12-28-41)42-29-13-6-14-30-42/h3-18,21-32,35-36H,1-2,19-20,33-34H2/b47-35+,48-36+
InChIKey	CEPYCHWIDGLFMC-MMXWPCHCSA-N Google Search
Mol Weight	652.5 g/mol
Molecular Formula	C44H42B2N2O2
Exact Mass	652.343239 g/mol

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SpectraBase Spectrum ID	5K7ZblPLTsh
Name	3,3'-HEXAMETHYLENEBIS[2,2-DIPHENYL-2H-1,3,2-BENZOXAZABORINIUM] DIHYDROXIDE, INNER SALT
Source of Sample	E. Hohaus, Universitat-Gesamthochschule Siegen, Siegen, Germany
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C44H42B2N2O2
InChI	InChI=1S/C44H42B2N2O2/c1(19-33-47-35-37-21-15-17-31-43(37)49-45(39-23-7-3-8-24-39)40-25-9-4-10-26-40)2-20-34-48-36-38-22-16-18-32-44(38)50-46(41-27-11-5-12-28-41)42-29-13-6-14-30-42/h3-18,21-32,35-36H,1-2,19-20,33-34H2/b47-35+,48-36+
InChIKey	CEPYCHWIDGLFMC-MMXWPCHCSA-N
Literature Reference	FRESENIUS Z. ANAL. CHEM. 315, 696(1983) Abstract-Chemical Abstracts= 100, 68348H(1984)
Melting Point	263C
Molecular Weight	652.452026
Synonyms	BENZOXAZABORINIUM DIHYDROXIDE, 2H-1,3,2-, 3,3*-HEXAMETHYLENEBIS- /2,2-DIPHENYL-, INNER SALT
Technique	KBr WAFER