[1,3-Di(4-pyridyl)propane] [Bis[bis[9-borabicyclo[3.3.1]nonan-9-yl]oxide]] (adduct)

SpectraBase Compound ID	HJdSbOGxEdC
InChI	InChI=1S/C45H70B4N2O2/c1(10-36-28-32-50(33-29-36)48(42-20-6-21-43(48)23-7-22-42)52-46-38-12-2-13-39(46)15-3-14-38)11-37-30-34-51(35-31-37)49(44-24-8-25-45(49)27-9-26-44)53-47-40-16-4-17-41(47)19-5-18-40/h28-35,38-45H,1-27H2
InChIKey	QWERJCXBQQOKSP-UHFFFAOYSA-N Google Search
Mol Weight	714 g/mol
Molecular Formula	C45H70B4N2O2
Exact Mass	714.58095 g/mol

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SpectraBase Spectrum ID	9O2Qj8mncDk
Name	[1,3-Di(4-pyridyl)propane] [Bis[bis[9-borabicyclo[3.3.1]nonan-9-yl]oxide]] (adduct)
Alternate Name(s)	1,3-Di(4-pyridyl)propan, N,N'-bis(bbn-oxid) (addukt) 1,3-Di(4-pyridyl)propane, N,N'-bis(BBN-oxide) (adduct) 9-(9-Borabicyclo[3.3.1]non-9-yloxy)-9-borabicyclo[3.3.1]nonane compound with 4-[3-(4-pyridinyl)propyl]pyridine (2:1) 9-{9-borabicyclo[3.3.1]nonan-9-yloxy}-9-(4-{3-[1-(9-{9-borabicyclo[3.3.1]nonan-9-yloxy}-9-borabicyclo[3.3.1]nonan-9-uid-9-yl)-1-pyridin-1-ylium-4-yl]propyl}-1-pyridin-1-ylium-1-yl)-9-borabicyclo[3.3.1]nonan-9-uide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C45H70B4N2O2
InChI	InChI=1S/C45H70B4N2O2/c1(10-36-28-32-50(33-29-36)48(42-20-6-21-43(48)23-7-22-42)52-46-38-12-2-13-39(46)15-3-14-38)11-37-30-34-51(35-31-37)49(44-24-8-25-45(49)27-9-26-44)53-47-40-16-4-17-41(47)19-5-18-40/h28-35,38-45H,1-27H2
InChIKey	QWERJCXBQQOKSP-UHFFFAOYSA-N
Molecular Weight	714.307 g/mol
SMILES	C1CC2CCCC(B2O[B-]2(C3CCCC2CCC3)[n+]2ccc(cc2)CCCc2cc[n+](cc2)[B-]2(C3CCCC2CCC3)OB2C3CCCC2CCC3)C1
SPLASH	splash10-0a4j-6930000000-5d3ce0064f6d075927ff
Wiley ID	1501381