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2-(methylthio)-5-benzothiazolesulfonic acid

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2-(methylthio)-5-benzothiazolesulfonic acid
SpectraBase Compound ID 4nP3uLdXnsv
InChI InChI=1S/C8H7NO3S3/c1-13-8-9-6-4-5(15(10,11)12)2-3-7(6)14-8/h2-4H,1H3,(H,10,11,12)
InChIKey OGUZTNRCJXGCDL-UHFFFAOYSA-N
Mol Weight 261.33 g/mol
Molecular Formula C8H7NO3S3
Exact Mass 260.958807 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Mugci7Zy3d
Name 2-(METHYLTHIO)-5-BENZOTHIAZOLESULFONIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO3S3
InChI InChI=1S/C8H7NO3S3/c1-13-8-9-6-4-5(15(10,11)12)2-3-7(6)14-8/h2-4H,1H3,(H,10,11,12)
InChIKey OGUZTNRCJXGCDL-UHFFFAOYSA-N
Molecular Weight 261.34
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms 5-BENZOTHIAZOLESULFONIC ACID, 2-/METHYLTHIO/-,