[[5-(4-ETHYLPHENOXY)-2,2-DIMETHYLPENTYL]-(3-BROMOPHENYL)]-DIFLUOROMETHANESULFONATE

SpectraBase Compound ID	23ru2xR5j69
InChI	InChI=1S/C22H27BrF2O4S/c1-4-17-9-11-20(12-10-17)28-14-6-13-21(2,3)16-29-30(26,27)22(24,25)18-7-5-8-19(23)15-18/h5,7-12,15H,4,6,13-14,16H2,1-3H3
InChIKey	PLLQGQCYPWBZRL-UHFFFAOYSA-N Google Search
Mol Weight	505.41 g/mol
Molecular Formula	C22H27BrF2O4S
Exact Mass	504.07815 g/mol

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SpectraBase Spectrum ID	GJSJLRV1fSv
Name	[[5-(4-ETHYLPHENOXY)-2,2-DIMETHYLPENTYL]-(3-BROMOPHENYL)]-DIFLUOROMETHANESULFONATE
Compound Number	83
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C22H27BrF2O4S
InChI	InChI=1S/C22H27BrF2O4S/c1-4-17-9-11-20(12-10-17)28-14-6-13-21(2,3)16-29-30(26,27)22(24,25)18-7-5-8-19(23)15-18/h5,7-12,15H,4,6,13-14,16H2,1-3H3
InChIKey	PLLQGQCYPWBZRL-UHFFFAOYSA-N
Literature Reference Author	C.LEUNG,J.GRZYB,J.LEE,N.MEYER,G.HUM,C.JIA,S.LIU,S.D.TAYLOR
Literature Reference Citation	BIOORG.MED.CHEM.,10,2309(2002)
Literature Reference DOI	10.1016/S0968-0896(02)00062-7
Solvent	CDCl3
Source File Reference	UWVN28538