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4-Phenyl-3-methyl-4-oxo-3-tosylbutanoic acid
SpectraBase Compound ID 1DqGNGpGnWk
InChI InChI=1S/C18H18O5S/c1-13-8-10-15(11-9-13)24(22,23)18(2,12-16(19)20)17(21)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,19,20)
InChIKey RORIFYFTIFMDAH-UHFFFAOYSA-N
Mol Weight 346.4 g/mol
Molecular Formula C18H18O5S
Exact Mass 346.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KES21PQJwEg
Name 4-Phenyl-3-methyl-4-oxo-3-tosylbutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O5S
InChI InChI=1S/C18H18O5S/c1-13-8-10-15(11-9-13)24(22,23)18(2,12-16(19)20)17(21)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,19,20)
InChIKey RORIFYFTIFMDAH-UHFFFAOYSA-N
Molecular Weight 346.397 g/mol
SMILES OC(CC(S(c1ccc(cc1)C)(=O)=O)(C(=O)c1ccccc1)C)=O
SPLASH splash10-0a4i-3910000000-ee98dfd8369d4bfe15a7
Source of Spectrum J-59-3207-12
Synonyms 3-Methyl-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-4-phenyl-butanoic acid 3-Methyl-3-[(4-methylphenyl)sulfonyl]-4-oxo-4-phenylbutanoic acid 3-Methyl-4-oxo-4-phenyl-3-(p-tolylsulfonyl)butanoic acid 4-keto-3-methyl-4-phenyl-3-tosyl-butyric acid
Wiley ID 1339135