| SpectraBase Compound ID | GGDiLXL61Ij |
|---|---|
| InChI | InChI=1S/C13H11F5O4/c1-2-21-10(19)7-8-3-5-9(6-4-8)22-11(20)12(14,15)13(16,17)18/h3-6H,2,7H2,1H3 |
| InChIKey | RNPXCIVVJZOJHC-UHFFFAOYSA-N |
| Mol Weight | 326.22 g/mol |
| Molecular Formula | C13H11F5O4 |
| Exact Mass | 326.05775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3FetnVSFiw |
|---|---|
| Name | 4-Hydroxyphenylacetic acid, ethyl ester, pfp |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.057749645 u |
| Formula | C13H11F5O4 |
| InChI | InChI=1S/C13H11F5O4/c1-2-21-10(19)7-8-3-5-9(6-4-8)22-11(20)12(14,15)13(16,17)18/h3-6H,2,7H2,1H3 |
| InChIKey | RNPXCIVVJZOJHC-UHFFFAOYSA-N |
| Molecular Weight | 326.219 g/mol |
| SMILES | C1(CC(OCC)=O)=CC=C(C=C1)OC(=O)C(F)(C(F)(F)F)F |