| SpectraBase Compound ID | 4E0lyoF1ZGM |
|---|---|
| InChI | InChI=1S/C14H13F3O5/c1-20-11-7-8(6-9-3-5-12(18)21-9)2-4-10(11)22-13(19)14(15,16)17/h2,4,7,9H,3,5-6H2,1H3 |
| InChIKey | PMEIZPCEAGITER-UHFFFAOYSA-N |
| Mol Weight | 318.25 g/mol |
| Molecular Formula | C14H13F3O5 |
| Exact Mass | 318.071508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JnUJoAxX38I |
|---|---|
| Name | 2-(3-Methoxy-4-trifluoroacetoxybenzyl)tetrahydrofuran-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.071508003 u |
| Formula | C14H13F3O5 |
| InChI | InChI=1S/C14H13F3O5/c1-20-11-7-8(6-9-3-5-12(18)21-9)2-4-10(11)22-13(19)14(15,16)17/h2,4,7,9H,3,5-6H2,1H3 |
| InChIKey | PMEIZPCEAGITER-UHFFFAOYSA-N |
| Molecular Weight | 318.248 g/mol |
| SMILES | C(C(OC=1C(=CC(=CC1)CC1OC(=O)CC1)OC)=O)(F)(F)F |