![[4-(5-bromo-2-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene]dimethylammonium perchlorate](/api/spectrum/L5vXKcBYdIe/structure.png?h=300&w=458 "[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) Chemical Shifts
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| SpectraBase Spectrum ID | L5vXKcBYdIe |
|---|---|
| Name | [4-(5-bromo-2-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene]dimethylammonium perchlorate |
| Copyright | Copyright © 2009-2024 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 | Varian CFT-20 |
| Sadtler NMR Number | 61340M |
| Solvent | DMSO-d6 |