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3-[p-Chlorophenylsulfonyl]propionic acid

View entire compound with spectra: 2 NMR, and 1 FTIR

3-[p-Chlorophenylsulfonyl]propionic acid
SpectraBase Compound ID 6kOKU9zM8cb
InChI InChI=1S/C9H9ClO4S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKey ZEYRBFCQZXZIQU-UHFFFAOYSA-N
Mol Weight 248.68 g/mol
Molecular Formula C9H9ClO4S
Exact Mass 247.991008 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AtBH2AKwD24
Name 3-[p-Chlorophenylsulfonyl]propionic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.991007640 u
Formula C9H9ClO4S
InChI InChI=1S/C9H9ClO4S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKey ZEYRBFCQZXZIQU-UHFFFAOYSA-N
Molecular Weight 248.680 g/mol
SMILES C1=CC(S(CCC(=O)O)(=O)=O)=CC=C1Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882048