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3-(Phenylsulfonyl)propionic acid
SpectraBase Compound ID IvjlwxNtTc7
InChI InChI=1S/C9H10O4S/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey WGTYYNCSWCKXAI-UHFFFAOYSA-N
Mol Weight 214.23 g/mol
Molecular Formula C9H10O4S
Exact Mass 214.02998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DQeSgwXyY
Name 3-(phenylsulfonyl)propanoic acid
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O4S
InChI InChI=1S/C9H10O4S/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey WGTYYNCSWCKXAI-UHFFFAOYSA-N
Instrument Name Agilent Technologies GC/MS-5973N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000425
Molecular Weight 214.235 g/mol
SMILES OC(CCS(c1ccccc1)(=O)=O)=O
SPLASH splash10-0fb9-9500000000-64fb6c7261516d8c48dd
Source of Spectrum U1-2020-SM4-4f
Thin-Layer Chromatography Rf = 0.43 (ethyl acetate/methanol, 2:1)
Wiley ID 1860646