Benzenepropanoic acid, .alpha.-[(methylsulfonyl)oxy]-.beta.-oxo-, ethyl ester

SpectraBase Compound ID	SNx4JT0kzL
InChI	InChI=1S/C12H14O6S/c1-3-17-12(14)11(18-19(2,15)16)10(13)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3
InChIKey	WAFBXAOOVKBYLL-UHFFFAOYSA-N Google Search
Mol Weight	286.3 g/mol
Molecular Formula	C12H14O6S
Exact Mass	286.051109 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	AnL0da4WgYc
Name	Benzenepropanoic acid, .alpha.-[(methylsulfonyl)oxy]-.beta.-oxo-, ethyl ester
Alternate Name(s)	ethyl 2-[(methylsulfonyl)oxy]-3-oxo-3-phenylpropanoate Ethyl 3-phenyl-2-(methylsulfonic)propanoate
CAS Registry Number	111772-82-8
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H14O6S
InChI	InChI=1S/C12H14O6S/c1-3-17-12(14)11(18-19(2,15)16)10(13)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3
InChIKey	WAFBXAOOVKBYLL-UHFFFAOYSA-N
Molecular Weight	286.298 g/mol
SMILES	C(OS(=O)(=O)C)(C(=O)c1ccccc1)C(=O)OCC
SPLASH	splash10-0a4i-0900000000-2d0cd74e8c1294c796ee
Source of Spectrum	F-44-1606-4
Wiley ID	1289369