[4-(5-bromo-2-hydroxy-p-tolyl)-5-methyl-1,3-dithiol-2-ylidene]dimethylammonium hydrogen sulfate

SpectraBase Compound ID	9tmoFaj9FUk
InChI	InChI=1S/C13H14BrNOS2.H2O4S/c1-7-5-11(16)9(6-10(7)14)12-8(2)17-13(18-12)15(3)4;1-5(2,3)4/h5-6H,1-4H3;(H2,1,2,3,4)
InChIKey	SIFIKNBMZPBVAC-UHFFFAOYSA-N Google Search
Mol Weight	442.36 g/mol
Molecular Formula	C13H16BrNO5S3
Exact Mass	440.937399 g/mol

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SpectraBase Spectrum ID	46DOO4XlYgl
Name	[4-(5-BROMO-2-HYDROXY-p-TOLYL)-5-METHYL-1,3-DITHIOL-2-YLIDENE]DIMETHYLAMMONIUM HYDROGEN SULFATE
Source of Sample	A. Cascaval, "Al. I. CUZA" University of Iassy, Iasi, Romania
Copyright	Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H16BrNO5S3
InChI	InChI=1S/C13H14BrNOS2.H2O4S/c1-7-5-11(16)9(6-10(7)14)12-8(2)17-13(18-12)15(3)4;1-5(2,3)4/h5-6H,1-4H3;(H2,1,2,3,4)
InChIKey	SIFIKNBMZPBVAC-UHFFFAOYSA-N
Instrument Name	BRUKER AC-300
Melting Point	239-240C (dec.)
Molecular Weight	442.38
Solvent	DMSO-d6; Reference=TMS; Temperature 297K