![S-[4-HYDROXY-2H-1,4-BENZOXAZIN-3(4H)-ON-2-YL]-ISOTHIO-URONIUM-BROMIDE](/api/spectrum/J9nmD0JBjya/structure.png?h=300&w=458 "S-[4-HYDROXY-2H-1,4-BENZOXAZIN-3(4H)-ON-2-YL]-ISOTHIO-URONIUM-BROMIDE")
| SpectraBase Compound ID | HGUnrQQ4b8S |
|---|---|
| InChI | InChI=1S/C9H9N3O3S.BrH/c10-9(11)16-8-7(13)12(14)5-3-1-2-4-6(5)15-8;/h1-4,8,14H,(H3,10,11);1H |
| InChIKey | DCEFBDYAQKXNFL-UHFFFAOYSA-N |
| Mol Weight | 320.16 g/mol |
| Molecular Formula | C9H10BrN3O3S |
| Exact Mass | 318.962625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9nmD0JBjya |
|---|---|
| Name | S-[4-HYDROXY-2H-1,4-BENZOXAZIN-3(4H)-ON-2-YL]-ISOTHIO-URONIUM-BROMIDE |
| Compound Number | 11 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C9H9N3O3S.BrH/c10-9(11)16-8-7(13)12(14)5-3-1-2-4-6(5)15-8;/h1-4,8,14H,(H3,10,11);1H |
| InChIKey | DCEFBDYAQKXNFL-UHFFFAOYSA-N |
| Literature Reference | M.KLUGE,D.SICKER J.HETCYCL.CHEM.,33,1623(1996) |
| Solvent | Dimethyl sulfoxide-d6 |