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[4-(5-bromo-2-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene]dimethylammonium perchlorate
SpectraBase Compound ID 122NPmVWMAx
InChI InChI=1S/C13H14BrNOS2.ClHO4/c1-7-8(2)12(16)9(5-10(7)14)11-6-17-13(18-11)15(3)4;2-1(3,4)5/h5-6H,1-4H3;(H,2,3,4,5)
InChIKey FUSCGQBPCOKOMS-UHFFFAOYSA-N
Mol Weight 444.74 g/mol
Molecular Formula C13H15BrClNO5S2
Exact Mass 442.926356 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LEauhL26LB9
Name [4-(5-BROMO-2-HYDROXY-3,4-XYLYL)-1,3-DITHIOL-2-YLIDENE]DIMETHYLAMMONIUM PERCHLORATE
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 C13H15BrClNO5S2
InChI InChI=1S/C13H14BrNOS2.ClHO4/c1-7-8(2)12(16)9(5-10(7)14)11-6-17-13(18-11)15(3)4;2-1(3,4)5/h5-6H,1-4H3;(H,2,3,4,5)
InChIKey FUSCGQBPCOKOMS-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 232-233C (dec.)
Molecular Weight 444.76
Solvent DMSO-d6; Reference=TMS; Temperature 297K