| SpectraBase Compound ID | H9fRtOmt7Xr |
|---|---|
| InChI | InChI=1S/C14H7F5O2/c15-9-8(10(16)12(18)13(19)11(9)17)14(20)21-6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | WLPUFAZAMBXLPF-UHFFFAOYSA-N |
| Mol Weight | 302.2 g/mol |
| Molecular Formula | C14H7F5O2 |
| Exact Mass | 302.03662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4YzY2GxaVjm |
|---|---|
| Name | Pentafluorobenzoic acid, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.036620278 u |
| Formula | C14H7F5O2 |
| InChI | InChI=1S/C14H7F5O2/c15-9-8(10(16)12(18)13(19)11(9)17)14(20)21-6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | WLPUFAZAMBXLPF-UHFFFAOYSA-N |
| Molecular Weight | 302.200 g/mol |
| SMILES | C1=CC=CC=C1COC(=O)C1=C(F)C(=C(C(=C1F)F)F)F |