3-[3-(SULFOOXY)PROPYL]-2,5,6-TRIMETHYLBENZOTHIAZOLIUM HYDROXIDE, INNER SALT

SpectraBase Compound ID	71MEFab2S1Z
InChI	InChI=1S/C13H17NO4S2/c1-9-7-12-13(8-10(9)2)19-11(3)14(12)5-4-6-18-20(15,16)17/h7-8H,4-6H2,1-3H3
InChIKey	IEMOWXZEHDESAP-UHFFFAOYSA-N Google Search
Mol Weight	315.4 g/mol
Molecular Formula	C13H17NO4S2
Exact Mass	315.0599 g/mol

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SpectraBase Spectrum ID	5rGlvJSvzBo
Name	3-[3-(SULFOOXY)PROPYL]-2,5,6-TRIMETHYLBENZOTHIAZOLIUM HYDROXIDE, INNER SALT
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number	S39494
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H17NO4S2
InChI	InChI=1S/C13H17NO4S2/c1-9-7-12-13(8-10(9)2)19-11(3)14(12)5-4-6-18-20(15,16)17/h7-8H,4-6H2,1-3H3
InChIKey	IEMOWXZEHDESAP-UHFFFAOYSA-N
Molecular Weight	315.402008
Synonyms	BENZOTHIAZOLIUM HYDROXIDE, 3-/3-/SULFOOXY/PROPYL/-2,5,6-TRI- METHYL-, INNER SALT
Technique	4000-1350 CM^-^1=MULLED IN PERFLUORINATED HYDROCARBON; 1350-450 CM^-^1=MULLED IN MINERAL OIL