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2-Methyl-3-(p-tolylsulfonyl)propanoic acid
SpectraBase Compound ID KnyIMbH0pQO
InChI InChI=1S/C11H14O4S/c1-8-3-5-10(6-4-8)16(14,15)7-9(2)11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
InChIKey ITYNUBLPNWAXAK-UHFFFAOYSA-N
Mol Weight 242.29 g/mol
Molecular Formula C11H14O4S
Exact Mass 242.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzYOIPGqCBf
Name 2-Methyl-3-(p-tolylsulfonyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O4S
InChI InChI=1S/C11H14O4S/c1-8-3-5-10(6-4-8)16(14,15)7-9(2)11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
InChIKey ITYNUBLPNWAXAK-UHFFFAOYSA-N
Molecular Weight 242.289 g/mol
SMILES OC(C(CS(c1ccc(cc1)C)(=O)=O)C)=O
SPLASH splash10-0006-9300000000-8f0913468b61dd2c5a71
Source of Spectrum J-59-3205-10
Synonyms 2-Methyl-3-tosyl-propionic acid 2-Methyl-3-(4-methylphenyl)sulfonylpropanoic acid
Wiley ID 1244661