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3-(Chlorosulfonyl)benzoic acid

View entire compound with spectra: 4 NMR, 4 FTIR, and 1 Raman

3-(Chlorosulfonyl)benzoic acid
SpectraBase Compound ID H5FLsGDgLkC
InChI InChI=1S/C7H5ClO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey LMRKXSDOAFUINK-UHFFFAOYSA-N
Mol Weight 220.63 g/mol
Molecular Formula C7H5ClO4S
Exact Mass 219.959708 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1tZm33E3UkX
Name benzoic acid, 3-(chlorosulfonyl)-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.959707511 u
Formula C7H5ClO4S
InChI InChI=1S/C7H5ClO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey LMRKXSDOAFUINK-UHFFFAOYSA-N
Molecular Weight 220.626 g/mol
NMR Offset 17.9886
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5250
Solvent CDCl3
Source Vendor ID: NMR/13289502