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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JJWXbh07WLR
Name [4-(5-BROMO-6-HYDROXY-3,4-XYLYL)-1,3-DITHIOL-2-YLIDENE]DIMETHYLAMMONIUM CHLORIDE
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 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
Instrument Name BRUKER AC-300
Melting Point 245-246C (dec.)
Molecular Weight 380.746000
Solvent DMSO-d6; Reference=TMS; Temperature 297K