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6-(hydroxymethyl)-1,2,3-oxathiazin-4(3H)-one, 3-potassium salt, 2,2-dioxide
SpectraBase Compound ID 8XctBxuTPOr
InChI InChI=1S/C4H5NO5S.K/c6-2-3-1-4(7)5-11(8,9)10-3;/h1,6H,2H2,(H,5,7);/q;+1/p-1
InChIKey QBKJFAVEGQUWEG-UHFFFAOYSA-M
Mol Weight 217.2363 g/mol
Molecular Formula C4H4KNO5S
Exact Mass 216.944725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JKXPreZIPkG
Name 6-(HYDROXYMETHYL)-1,2,3-OXATHIAZIN-4(3H)-ONE, 3-POTASSIUM SALT, 2,2-DIOXIDE
Source of Sample K. Clauss, Hoechst AG, Frankfurt, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H4KNO5S
InChI InChI=1S/C4H5NO5S.K/c6-2-3-1-4(7)5-11(8,9)10-3;/h1,6H,2H2,(H,5,7);/q;+1/p-1
InChIKey QBKJFAVEGQUWEG-UHFFFAOYSA-M
Molecular Weight 217.25
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms OXATHIAZIN-4/3H/-ONE, 1,2,3-, 6-/HYDROXYMETHYL/-, 3-POTASSIUM SALT, 2,2-DIOXIDE