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2-Methyl-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-4-phenyl-butanoic acid
SpectraBase Compound ID 1nRuFb3gEzG
InChI InChI=1S/C18H18O5S/c1-12-8-10-15(11-9-12)24(22,23)17(13(2)18(20)21)16(19)14-6-4-3-5-7-14/h3-11,13,17H,1-2H3,(H,20,21)
InChIKey HWAUSPMZYGZWSX-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 LkmlDY3tGmp
Name 2-Methyl-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-4-phenyl-butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O5S
InChI InChI=1S/C18H18O5S/c1-12-8-10-15(11-9-12)24(22,23)17(13(2)18(20)21)16(19)14-6-4-3-5-7-14/h3-11,13,17H,1-2H3,(H,20,21)
InChIKey HWAUSPMZYGZWSX-UHFFFAOYSA-N
Molecular Weight 346.397 g/mol
SMILES OC(C(C(S(c1ccc(cc1)C)(=O)=O)C(=O)c1ccccc1)C)=O
SPLASH splash10-0a4i-4910000000-4eb3e022d6f5845bdaff
Source of Spectrum J-59-3207-12
Synonyms 2-Methyl-4-oxo-4-phenyl-3-(p-tolylsulfonyl)butanoic acid 4-keto-2-methyl-4-phenyl-3-tosyl-butyric acid
Wiley ID 1339136