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3-(p-tolylsulfonyl)butanoic acid

View entire compound with spectra: 1 MS (GC)

3-(p-tolylsulfonyl)butanoic acid
SpectraBase Compound ID B7Rb9yXkvUR
InChI InChI=1S/C11H14O4S/c1-8-3-5-10(6-4-8)16(14,15)9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
InChIKey BWKPKKWDCXHCNV-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 4IkAOtFlN96
Name 3-(p-tolylsulfonyl)butanoic 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)9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
InChIKey BWKPKKWDCXHCNV-UHFFFAOYSA-N
Molecular Weight 242.289 g/mol
SMILES OC(CC(S(c1ccc(cc1)C)(=O)=O)C)=O
SPLASH splash10-0006-9000000000-4f064b799b780024ab57
Source of Spectrum J-59-3206-10
Synonyms 3-Tosylbutyric acid
Wiley ID 1244660