![[4-(5-bromo-6-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene]diethylammonium perchlorate](/api/spectrum/FF4L1JoAxa7/structure.png?h=300&w=458 "[4-(5-bromo-6-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene]diethylammonium perchlorate")
| SpectraBase Compound ID | Fa98GnktzQi |
|---|---|
| InChI | InChI=1S/C15H18BrNOS2.ClHO4/c1-5-17(6-2)15-19-8-12(20-15)11-7-9(3)10(4)13(16)14(11)18;2-1(3,4)5/h7-8H,5-6H2,1-4H3;(H,2,3,4,5) |
| InChIKey | FFBFPCYKOSFKFU-UHFFFAOYSA-N |
| Mol Weight | 472.8 g/mol |
| Molecular Formula | C15H19BrClNO5S2 |
| Exact Mass | 470.957656 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FF4L1JoAxa7 |
|---|---|
| Name | [4-(5-bromo-6-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene]diethylammonium perchlorate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H19BrClNO5S2 |
| InChI | InChI=1S/C15H18BrNOS2.ClHO4/c1-5-17(6-2)15-19-8-12(20-15)11-7-9(3)10(4)13(16)14(11)18;2-1(3,4)5/h7-8H,5-6H2,1-4H3;(H,2,3,4,5) |
| InChIKey | FFBFPCYKOSFKFU-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 61365M |
| Solvent | DMSO-d6 |