| SpectraBase Compound ID | 2A7iFY6W7aI |
|---|---|
| InChI | InChI=1S/C9H5Br2NO2S/c10-5-1-6(8(13)3-15-4-12)9(14)7(11)2-5/h1-2,14H,3H2 |
| InChIKey | OQZTWTFXBWBAFK-UHFFFAOYSA-N |
| Mol Weight | 351.01 g/mol |
| Molecular Formula | C9H5Br2NO2S |
| Exact Mass | 348.840776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66iDRdcJpWY |
|---|---|
| Name | Thiocyanic acid, 3,5-dibromo-2-hydroxyphenacyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.840775577 u |
| Formula | C9H5Br2NO2S |
| InChI | InChI=1S/C9H5Br2NO2S/c10-5-1-6(8(13)3-15-4-12)9(14)7(11)2-5/h1-2,14H,3H2 |
| InChIKey | OQZTWTFXBWBAFK-UHFFFAOYSA-N |
| Molecular Weight | 351.012 g/mol |
| SMILES | OC1=C(C=C(C=C1C(=O)CSC#N)Br)Br |