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3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid

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3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid
SpectraBase Compound ID BRASZrjqTNP
InChI InChI=1S/C10H11NO3S3/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10/h1-2,4-5H,3,6-7H2,(H,12,13,14)
InChIKey XBNHRNFODJOFRU-UHFFFAOYSA-N
Mol Weight 289.38 g/mol
Molecular Formula C10H11NO3S3
Exact Mass 288.990107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98YOnccYt9D
Name 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H11NO3S3
InChI InChI=1S/C10H11NO3S3/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10/h1-2,4-5H,3,6-7H2,(H,12,13,14)
InChIKey XBNHRNFODJOFRU-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 289.382 g/mol
Source File Reference MHKO13182