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3-methylbenzothiazolium p-toluenesulfonate

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3-methylbenzothiazolium p-toluenesulfonate
SpectraBase Compound ID 52SjIwgPIhu
InChI InChI=1S/C8H8NS.C7H8O3S/c1-9-6-10-8-5-3-2-4-7(8)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey VSLLSCGWLKZXJL-UHFFFAOYSA-M
Mol Weight 321.41 g/mol
Molecular Formula C15H15NO3S2
Exact Mass 321.049336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdJvl4zBYWO
Name 3-METHYLBENZOTHIAZOLIUM p-TOLUENESULFONATE
Source of Sample Eastman Organic Chemicals, Rochester, New York
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO3S2
InChI InChI=1S/C8H8NS.C7H8O3S/c1-9-6-10-8-5-3-2-4-7(8)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey VSLLSCGWLKZXJL-UHFFFAOYSA-M
Melting Point 112-114C
Molecular Weight 321.42
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOTHIAZOLIUM P-TOLUENESULFONATE, 3-METHYL-,