| SpectraBase Compound ID | 2nJpNI8PjWL |
|---|---|
| InChI | InChI=1S/C16H11F3O4/c17-16(18,19)15(21)23-13-9-5-4-8-12(13)14(20)22-10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | POIIPZZZUXHXBA-UHFFFAOYSA-N |
| Mol Weight | 324.26 g/mol |
| Molecular Formula | C16H11F3O4 |
| Exact Mass | 324.060943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQ3foIMIfgJ |
|---|---|
| Name | Salicylic acid, o-trifluoroacetyl-, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.060943319 u |
| Formula | C16H11F3O4 |
| InChI | InChI=1S/C16H11F3O4/c17-16(18,19)15(21)23-13-9-5-4-8-12(13)14(20)22-10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | POIIPZZZUXHXBA-UHFFFAOYSA-N |
| Molecular Weight | 324.255 g/mol |
| SMILES | C(OCC1=CC=CC=C1)(=O)C1=C(OC(C(F)(F)F)=O)C=CC=C1 |