![1-[4-(5-bromo-6-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene] pyrrolidinium hydrogen sulfate](/api/spectrum/Cq90vIiHXZS/structure.png?h=300&w=458 "1-[4-(5-bromo-6-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene] pyrrolidinium hydrogen sulfate")
| SpectraBase Compound ID | 6csJznbg1Qs |
|---|---|
| InChI | InChI=1S/C15H16BrNOS2.H2O4S/c1-9-7-11(14(18)13(16)10(9)2)12-8-19-15(20-12)17-5-3-4-6-17;1-5(2,3)4/h7-8H,3-6H2,1-2H3;(H2,1,2,3,4) |
| InChIKey | CAAHTQWCFILYQJ-UHFFFAOYSA-N |
| Mol Weight | 468.4 g/mol |
| Molecular Formula | C15H18BrNO5S3 |
| Exact Mass | 466.953049 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cq90vIiHXZS |
|---|---|
| Name | 1-[4-(5-bromo-6-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene] pyrrolidinium hydrogen sulfate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18BrNO5S3 |
| InChI | InChI=1S/C15H16BrNOS2.H2O4S/c1-9-7-11(14(18)13(16)10(9)2)12-8-19-15(20-12)17-5-3-4-6-17;1-5(2,3)4/h7-8H,3-6H2,1-2H3;(H2,1,2,3,4) |
| InChIKey | CAAHTQWCFILYQJ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 61363M |
| Solvent | DMSO-d6 |