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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
Mol Weight 286.3 g/mol
Molecular Formula C12H14O6S
Exact Mass 286.051109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnL0da4WgYc
Name Benzenepropanoic acid, .alpha.-[(methylsulfonyl)oxy]-.beta.-oxo-, ethyl ester
CAS Registry Number 111772-82-8
Comments Less than 3 mono-isotopic peaks
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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
Synonyms ethyl 2-[(methylsulfonyl)oxy]-3-oxo-3-phenylpropanoate Ethyl 3-phenyl-2-(methylsulfonic)propanoate
Wiley ID 1289369