2-Phenylselanyl-3-(toluene-4-sulfonyl)-bicyclo[2.2.2]octa-2,5-diene

SpectraBase Compound ID	7wOM8Jv43qj
InChI	InChI=1S/C21H20O2SSe/c1-15-7-13-18(14-8-15)24(22,23)20-16-9-11-17(12-10-16)21(20)25-19-5-3-2-4-6-19/h2-9,11,13-14,16-17H,10,12H2,1H3/t16-,17+/m0/s1
InChIKey	CBMJWTHPOBWCMT-DLBZAZTESA-N Google Search
Mol Weight	415.42 g/mol
Molecular Formula	C21H20O2SSe
Exact Mass	416.034923 g/mol

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SpectraBase Spectrum ID	JXHqbybPuJc
Name	2-Phenylselanyl-3-(toluene-4-sulfonyl)-bicyclo[2.2.2]octa-2,5-diene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H20O2SSe
InChI	InChI=1S/C21H20O2SSe/c1-15-7-13-18(14-8-15)24(22,23)20-16-9-11-17(12-10-16)21(20)25-19-5-3-2-4-6-19/h2-9,11,13-14,16-17H,10,12H2,1H3/t16-,17+/m0/s1
InChIKey	CBMJWTHPOBWCMT-DLBZAZTESA-N
Molecular Weight	415.421 g/mol
SMILES	C1(S(c2ccc(cc2)C)(=O)=O)=C([Se]c2ccccc2)[C@]2(CC[C@@]1(C=C2)[H])[H]
SPLASH	splash10-00ei-2239200000-4374e9ff7df8e1680680
Source of Spectrum	D1-1995-1124-2
Synonyms	2-Phenylseleno-3-(p-toluenesulfonyl)-2,5-bicyclo[2.2.2]octadiene 1-(Toluenesulfonyl)-2-(phenylselenyl)bicyclo[2.2.2]octa-1,4-diene 2-[(4-methylphenyl)sulfonyl]-3-(phenylselanyl)bicyclo[2.2.2]octa-2,5-diene 4-Methylphenyl 3-(phenylselanyl)bicyclo[2.2.2]octa-2,5-dien-2-yl sulfone 3-(Toluenesulfonyl)-2-(phenylselenyl)-bicyclo[2.2.2]octa-2,5-diene
Wiley ID	834637