| SpectraBase Compound ID | 16lfvPUpd09 |
|---|---|
| InChI | InChI=1S/C11H8F3NO5S/c12-11(13,14)10(17)20-6-5-15-9(16)7-3-1-2-4-8(7)21(15,18)19/h1-4H,5-6H2 |
| InChIKey | VKQJHDKNRRHJSX-UHFFFAOYSA-N |
| Mol Weight | 323.24 g/mol |
| Molecular Formula | C11H8F3NO5S |
| Exact Mass | 323.007528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8yb5kK1ROi3 |
|---|---|
| Name | 2-(2-Hydroxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.007528020 u |
| Formula | C11H8F3NO5S |
| InChI | InChI=1S/C11H8F3NO5S/c12-11(13,14)10(17)20-6-5-15-9(16)7-3-1-2-4-8(7)21(15,18)19/h1-4H,5-6H2 |
| InChIKey | VKQJHDKNRRHJSX-UHFFFAOYSA-N |
| Molecular Weight | 323.242 g/mol |
| SMILES | C1(N(S(=O)(=O)C=2C1=CC=CC2)CCOC(C(F)(F)F)=O)=O |