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1,2-benzisothiazole-6-carboxylic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide
SpectraBase Compound ID 5HQXEoFyp4v
InChI InChI=1S/C8H5NO5S/c10-7-5-2-1-4(8(11)12)3-6(5)15(13,14)9-7/h1-3H,(H,9,10)(H,11,12)
InChIKey DVKWMYALCCTNKN-UHFFFAOYSA-N
Mol Weight 227.19 g/mol
Molecular Formula C8H5NO5S
Exact Mass 226.988843 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1CgY1BMWKAj
Name 1,2-benzisothiazole-6-carboxylic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.988843434 u
Formula C8H5NO5S
InChI InChI=1S/C8H5NO5S/c10-7-5-2-1-4(8(11)12)3-6(5)15(13,14)9-7/h1-3H,(H,9,10)(H,11,12)
InChIKey DVKWMYALCCTNKN-UHFFFAOYSA-N
Molecular Weight 227.190 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7542
Solvent DMSO-d6
Source Vendor ID: NMR/9254298; Lab Info: SP; Lab Number: SP-X000088