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

SpectraBase Compound ID	H3XNq3sibcM
InChI	InChI=1S/C13H14BrNOS2.H2O4S/c1-7-8(2)12(16)9(5-10(7)14)11-6-17-13(18-11)15(3)4;1-5(2,3)4/h5-6H,1-4H3;(H2,1,2,3,4)
InChIKey	RBVJSJVQIAEYKR-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	E9mNvD8ar28
Name	[4-(5-BROMO-2-HYDROXY-3,4-XYLYL)-1,3-DITHIOL-2-YLIDENE]DIMETHYLAMMONIUM HYDROGEN SULFATE
Source of Sample	A. Cascaval, "Al. I. CUZA" University of Iassy, Iasi, Romania
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H16BrNO5S3
InChI	InChI=1S/C13H14BrNOS2.H2O4S/c1-7-8(2)12(16)9(5-10(7)14)11-6-17-13(18-11)15(3)4;1-5(2,3)4/h5-6H,1-4H3;(H2,1,2,3,4)
InChIKey	RBVJSJVQIAEYKR-UHFFFAOYSA-N
Melting Point	246-247C (dec.)
Molecular Weight	442.38
Solvent	Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms	AMMONIUM HYDROGEN SULFATE, /4-/5-BROMO-2-HYDROXY-3,4-XYLYL/- 1,3-DITHIOL-2-YLIDENE/DIMETHYL-,