| SpectraBase Compound ID | 7fMYQAFoSbN |
|---|---|
| InChI | InChI=1S/C17H11F5O4/c18-16(19,17(20,21)22)15(24)26-13-9-5-4-8-12(13)14(23)25-10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | IVUZUSSQTVECPI-UHFFFAOYSA-N |
| Mol Weight | 374.26 g/mol |
| Molecular Formula | C17H11F5O4 |
| Exact Mass | 374.05775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ERUH7oUvC1 |
|---|---|
| Name | Salicylic acid, o-pentafluoropropionyl-, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.057749645 u |
| Formula | C17H11F5O4 |
| InChI | InChI=1S/C17H11F5O4/c18-16(19,17(20,21)22)15(24)26-13-9-5-4-8-12(13)14(23)25-10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | IVUZUSSQTVECPI-UHFFFAOYSA-N |
| Molecular Weight | 374.263 g/mol |
| SMILES | C(OCC1=CC=CC=C1)(=O)C1=C(OC(C(C(F)(F)F)(F)F)=O)C=CC=C1 |