5-[trans-2-(2-Bromophenylsulfanyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

SpectraBase Compound ID	2AjgXMg7BTA
InChI	InChI=1S/C18H21BrO4S/c1-18(2)22-16(20)15(17(21)23-18)11-7-3-5-9-13(11)24-14-10-6-4-8-12(14)19/h4,6,8,10-11,13,15H,3,5,7,9H2,1-2H3/t11-,13-/m0/s1
InChIKey	GFSHADWTMNNQIZ-AAEUAGOBSA-N Google Search
Mol Weight	413.33 g/mol
Molecular Formula	C18H21BrO4S
Exact Mass	412.034393 g/mol

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SpectraBase Spectrum ID	HRqWdc4bnxN
Name	5-[trans-2-(2-Bromophenylsulfanyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H21BrO4S
InChI	InChI=1S/C18H21BrO4S/c1-18(2)22-16(20)15(17(21)23-18)11-7-3-5-9-13(11)24-14-10-6-4-8-12(14)19/h4,6,8,10-11,13,15H,3,5,7,9H2,1-2H3/t11-,13-/m0/s1
InChIKey	GFSHADWTMNNQIZ-AAEUAGOBSA-N
Molecular Weight	413.326 g/mol
SMILES	C1(C(C(=O)OC(O1)(C)C)[C@@]1([C@@](Sc2c(Br)cccc2)(CCCC1)[H])[H])=O
SPLASH	splash10-0a4i-8910000000-169d73df664da96d48b6
Source of Spectrum	KC-61-4377-6
Synonyms	5-{(1R,2S)-2-[(2-bromophenyl)sulfanyl]cyclohexyl}-2,2-dimethyl-1,3-dioxane-4,6-dione
Wiley ID	1628956