![S-[4-HYDROXY-2H-1,4-BENZOTHIAZIN-3(4H)-ON-2-YL]-ISOTHIO-URONIUM-BROMIDE](/api/spectrum/FoA2pIVQQ4O/structure.png?h=300&w=458 "S-[4-HYDROXY-2H-1,4-BENZOTHIAZIN-3(4H)-ON-2-YL]-ISOTHIO-URONIUM-BROMIDE")
| SpectraBase Compound ID | C0cFt1rTtUo |
|---|---|
| InChI | InChI=1S/C9H10N3O2S2.BrH/c10-9(11)16-8-7(13)12(14)5-3-1-2-4-6(5)15-8;/h1-4,8,14H,10-11H2;1H/q-1;/p-1 |
| InChIKey | FYKGJSASFVEUJZ-UHFFFAOYSA-M |
| Mol Weight | 336.22 g/mol |
| Molecular Formula | C9H10BrN3O2S2 |
| Exact Mass | 334.939782 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FoA2pIVQQ4O |
|---|---|
| Name | S-[4-HYDROXY-2H-1,4-BENZOTHIAZIN-3(4H)-ON-2-YL]-ISOTHIO-URONIUM-BROMIDE |
| Compound Number | 12 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C9H10N3O2S2.BrH/c10-9(11)16-8-7(13)12(14)5-3-1-2-4-6(5)15-8;/h1-4,8,14H,10-11H2;1H/q-1;/p-1 |
| InChIKey | FYKGJSASFVEUJZ-UHFFFAOYSA-M |
| Literature Reference | M.KLUGE,D.SICKER J.HETCYCL.CHEM.,33,1623(1996) |
| Solvent | Dimethyl sulfoxide-d6 |