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[4-(5-bromo-6-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene]dimethylammonium chloride

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[4-(5-bromo-6-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene]dimethylammonium chloride
SpectraBase Compound ID Es0LqMcPHCZ
InChI InChI=1S/C13H14BrNOS2.ClH/c1-7-5-9(12(16)11(14)8(7)2)10-6-17-13(18-10)15(3)4;/h5-6H,1-4H3;1H
InChIKey BWXTUEOXVSSPIN-UHFFFAOYSA-N
Mol Weight 380.75 g/mol
Molecular Formula C13H15BrClNOS2
Exact Mass 378.946697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3iHygWQ1NSy
Name [4-(5-BROMO-6-HYDROXY-3,4-XYLYL)-1,3-DITHIOL-2-YLIDENE]DIMETHYLAMMONIUMCHLORIDE
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 C13H15BrClNOS2
InChI InChI=1S/C13H14BrNOS2.ClH/c1-7-5-9(12(16)11(14)8(7)2)10-6-17-13(18-10)15(3)4;/h5-6H,1-4H3;1H
InChIKey BWXTUEOXVSSPIN-UHFFFAOYSA-N
Melting Point 245-246C (dec.)
Molecular Weight 380.76
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms AMMONIUM CHLORIDE, /4-/5-BROMO- 6-HYDROXY-3,4-XYLYL/-1,3-DITHIOL-2-YLIDENE/DIMETHYL-,