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

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[4-(5-bromo-2-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene]dimethylammonium bromide
SpectraBase Compound ID KeJokwwqC1K
InChI InChI=1S/C13H14BrNOS2.BrH/c1-7-8(2)12(16)9(5-10(7)14)11-6-17-13(18-11)15(3)4;/h5-6H,1-4H3;1H
InChIKey KJSLGRIFHJRYKR-UHFFFAOYSA-N
Mol Weight 425.2 g/mol
Molecular Formula C13H15Br2NOS2
Exact Mass 422.896182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wUKrOWs71k
Name [4-(5-BROMO-2-HYDROXY-3,4-XYLYL)-1,3-DITHIOL-2-YLIDENE]DIMETHYLAMMONIUM BROMIDE
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 C13H15Br2NOS2
InChI InChI=1S/C13H14BrNOS2.BrH/c1-7-8(2)12(16)9(5-10(7)14)11-6-17-13(18-11)15(3)4;/h5-6H,1-4H3;1H
InChIKey KJSLGRIFHJRYKR-UHFFFAOYSA-N
Melting Point 235-236C (dec.)
Molecular Weight 425.22
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms AMMONIUM BROMIDE, /4-/5-BROMO- 2-HYDROXY-3,4-XYLYL/-1,3-DITHIOL-2-YLIDENE/DIMETHYL-,