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4'-N-(2,4,6-TRIPHENYLPYRIDINIO)-2,2':6',2''-TERPYRIDINE;[H3TP+-TPY]-(BF4)
SpectraBase Compound ID IxQYieX1f8K
InChI InChI=1S/C38H27N4.BF4/c1-4-14-28(15-5-1)31-24-37(29-16-6-2-7-17-29)42(38(25-31)30-18-8-3-9-19-30)32-26-35(33-20-10-12-22-39-33)41-36(27-32)34-21-11-13-23-40-34;2-1(3,4)5/h1-27H;/q+1;-1
InChIKey WYOKUBQIOVCRBP-UHFFFAOYSA-N
Mol Weight 626.5 g/mol
Molecular Formula C38H27BF4N4
Exact Mass 626.22649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3jOcObAHmW
Name 4'-N-(2,4,6-TRIPHENYLPYRIDINIO)-2,2':6',2''-TERPYRIDINE;[H3TP+-TPY]-(BF4)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H27BF4N4
InChI InChI=1S/C38H27N4.BF4/c1-4-14-28(15-5-1)31-24-37(29-16-6-2-7-17-29)42(38(25-31)30-18-8-3-9-19-30)32-26-35(33-20-10-12-22-39-33)41-36(27-32)34-21-11-13-23-40-34;2-1(3,4)5/h1-27H;/q+1;-1
InChIKey WYOKUBQIOVCRBP-UHFFFAOYSA-N
Literature Reference Author P.LAINE,F.BEDIOUI,P.OCHSENBEIN,V.MARVAUD,M.BONIN,E.AMOUYAL
Literature Reference Citation J.AM.CHEM.SOC.,124,1364(2002)
Literature Reference DOI 10.1021/ja011069p
Molecular Weight 626.463 g/mol
Sample ID 47252
Solvent Unknown