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3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanoic acid

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3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanoic acid
SpectraBase Compound ID 8iYMDuXUcnx
InChI InChI=1S/C10H9NO5S/c12-9(13)5-6-11-10(14)7-3-1-2-4-8(7)17(11,15)16/h1-4H,5-6H2,(H,12,13)
InChIKey GZWYJHUJOLOMKY-UHFFFAOYSA-N
Mol Weight 255.24 g/mol
Molecular Formula C10H9NO5S
Exact Mass 255.020144 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7WPjxFmADw2
Name 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C10H9NO5S/c12-9(13)5-6-11-10(14)7-3-1-2-4-8(7)17(11,15)16/h1-4H,5-6H2,(H,12,13)
InChIKey GZWYJHUJOLOMKY-UHFFFAOYSA-N
NMR Offset 16.5733
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_2851
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZI/6081472; Labnumber: LP-1900110; IOH_ID: IOH-002852
Temperature 313 °C