![S-[2H-1,4-BENZOXAZIN-3(4H)-ON-2-YL]-ISOTHIO-URONIUM-BROMIDE](/api/spectrum/C5sYn5A8uQi/structure.png?h=300&w=458 "S-[2H-1,4-BENZOXAZIN-3(4H)-ON-2-YL]-ISOTHIO-URONIUM-BROMIDE")
| SpectraBase Compound ID | 85Cxrh9qUT |
|---|---|
| InChI | InChI=1S/C9H9N3O2S.BrH/c10-9(11)15-8-7(13)12-5-3-1-2-4-6(5)14-8;/h1-4,8H,(H3,10,11)(H,12,13);1H |
| InChIKey | XTHAVUPCCWYTEK-UHFFFAOYSA-N |
| Mol Weight | 304.16 g/mol |
| Molecular Formula | C9H10BrN3O2S |
| Exact Mass | 302.967711 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5sYn5A8uQi |
|---|---|
| Name | S-[2H-1,4-BENZOXAZIN-3(4H)-ON-2-YL]-ISOTHIO-URONIUM-BROMIDE |
| Compound Number | 5 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C9H9N3O2S.BrH/c10-9(11)15-8-7(13)12-5-3-1-2-4-6(5)14-8;/h1-4,8H,(H3,10,11)(H,12,13);1H |
| InChIKey | XTHAVUPCCWYTEK-UHFFFAOYSA-N |
| Literature Reference | J.HETCYCL.CHEM.,33,1623(1996) M.KLUGE,D.SICKER |
| Solvent | Dimethyl sulfoxide-d6 |