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2-(4-Methylphenyl)sulfonyl-2-phenylacetic acid ethyl ester
SpectraBase Compound ID 10tIPQSLdbl
InChI InChI=1S/C17H18O4S/c1-3-21-17(18)16(14-7-5-4-6-8-14)22(19,20)15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3
InChIKey MLJOHNCUVSHPSA-UHFFFAOYSA-N
Mol Weight 318.39 g/mol
Molecular Formula C17H18O4S
Exact Mass 318.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgrN0Sm4AcX
Name 2-(4-Methylphenyl)sulfonyl-2-phenylacetic acid ethyl ester
CAS Registry Number 104368-08-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4S
InChI InChI=1S/C17H18O4S/c1-3-21-17(18)16(14-7-5-4-6-8-14)22(19,20)15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3
InChIKey MLJOHNCUVSHPSA-UHFFFAOYSA-N
Molecular Weight 318.387 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(=O)OCC)c1ccccc1
SPLASH splash10-01ox-6900000000-08f0ac3e69284fc8e794
Source of Spectrum J-55-1126-8
Synonyms 2-Phenyl-2-tosyl-acetic acid ethyl ester Ethyl 2-(4-methylphenyl)sulfonyl-2-phenyl-ethanoate Ethyl 2-(4-methylphenyl)sulfonyl-2-phenylacetate Ethyl 2-phenyl-2-(p-tolylsulfonyl)acetate
Wiley ID 1318367