(3-{4'-[4"-( 9'''-Anthryl)-1',3'-butadien-1"-yl] bicyclo[2.2.2]oct-1'-yl} triphenylphosphonium bromide

SpectraBase Compound ID	8CwF8lQDJYB
InChI	InChI=1S/C47H44P.BrH/c1-4-19-40(20-5-1)48(41-21-6-2-7-22-41,42-23-8-3-9-24-42)36-16-29-47-33-30-46(31-34-47,32-35-47)28-15-14-27-45-43-25-12-10-17-38(43)37-39-18-11-13-26-44(39)45;/h1-29,37H,30-36H2;1H/q+1;/p-1/b27-14+,28-15+,29-16+;
InChIKey	FSTFJDKPNIQMCD-NUISMYBNSA-M Google Search
Mol Weight	719.7 g/mol
Molecular Formula	C47H44BrP
Exact Mass	718.236401 g/mol

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SpectraBase Spectrum ID	KHBTTFeC3Lm
Name	(3-{4'-[4"-( 9'''-Anthryl)-1',3'-butadien-1"-yl] bicyclo[2.2.2]oct-1'-yl} triphenylphosphonium bromide
CAS Registry Number	140361-38-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C47H44BrP
InChI	InChI=1S/C47H44P.BrH/c1-4-19-40(20-5-1)48(41-21-6-2-7-22-41,42-23-8-3-9-24-42)36-16-29-47-33-30-46(31-34-47,32-35-47)28-15-14-27-45-43-25-12-10-17-38(43)37-39-18-11-13-26-44(39)45;/h1-29,37H,30-36H2;1H/q+1;/p-1/b27-14+,28-15+,29-16+;
InChIKey	FSTFJDKPNIQMCD-NUISMYBNSA-M
Molecular Weight	719.747 g/mol
SMILES	[Br-].c1(c2c(cccc2)cc2c1cccc2)\C=C\C=C\C12CCC(CC2)(\C=C\C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
SPLASH	splash10-004l-0910000000-2607bf436fa86f048196
Source of Spectrum	K-125-2107-7
Synonyms	(3-{4'-[4''-(9'''-anthryl)-1',3'-butadien-1''-yl]bicyclo[2.2.2]oct-1'-yl} triphenylphosphonium bromide (3-{4'-[4''-(9'''-Anthryl)-1',3'-butadien-1''-yl]bicyclo[2.2.2]oct-1'-yl} triphenylphosphonium bromide
Wiley ID	1415535