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

View entire compound with spectra: 1 NMR

[4-(5-bromo-2-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene]dimethylammonium hydrogen sulfate
SpectraBase Compound ID 7nxd7eOPZtP
InChI InChI=1S/C13H15BrNOS2.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/h5-6,16H,1-4H3;(H2,1,2,3,4)
InChIKey BHVHTDXYLUQUFS-UHFFFAOYSA-N
Mol Weight 443.36 g/mol
Molecular Formula C13H17BrNO5S3
Exact Mass 441.945224 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FuFkpeNmUKo
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 © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16BrNO5S3
InChI InChI=1S/C13H15BrNOS2.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/h5-6,16H,1-4H3;(H2,1,2,3,4)
InChIKey BHVHTDXYLUQUFS-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 246-247C (dec.)
Molecular Weight 442.38
Solvent DMSO-d6; Reference=TMS; Temperature 297K