![[4-(5-bromo-2-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene]dimethylammonium hydrogen sulfate](/api/spectrum/41Fe641SFMs/structure.png?h=300&w=458 "[4-(5-bromo-2-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene]dimethylammonium hydrogen sulfate")
| SpectraBase Compound ID | H3XNq3sibcM |
|---|---|
| InChI | InChI=1S/C13H14BrNOS2.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/h5-6H,1-4H3;(H2,1,2,3,4) |
| InChIKey | RBVJSJVQIAEYKR-UHFFFAOYSA-N |
| Mol Weight | 442.36 g/mol |
| Molecular Formula | C13H16BrNO5S3 |
| Exact Mass | 440.937399 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41Fe641SFMs |
|---|---|
| Name | [4-(5-bromo-2-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene]dimethylammonium hydrogen sulfate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16BrNO5S3 |
| InChI | InChI=1S/C13H14BrNOS2.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/h5-6H,1-4H3;(H2,1,2,3,4) |
| InChIKey | RBVJSJVQIAEYKR-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 61342M |
| Solvent | DMSO-d6 |