| SpectraBase Compound ID | IrxNuAkwV2M |
|---|---|
| InChI | InChI=1S/C14H6F6O2/c15-8-4-2-1-3-6(8)14(21)22-5-7-9(16)11(18)13(20)12(19)10(7)17/h1-4H,5H2 |
| InChIKey | DPTAUWCCDQBXKY-UHFFFAOYSA-N |
| Mol Weight | 320.19 g/mol |
| Molecular Formula | C14H6F6O2 |
| Exact Mass | 320.027198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7HTaX7OVuom |
|---|---|
| Name | 2-Fluorobenzoic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.027198409 u |
| Formula | C14H6F6O2 |
| InChI | InChI=1S/C14H6F6O2/c15-8-4-2-1-3-6(8)14(21)22-5-7-9(16)11(18)13(20)12(19)10(7)17/h1-4H,5H2 |
| InChIKey | DPTAUWCCDQBXKY-UHFFFAOYSA-N |
| Molecular Weight | 320.190 g/mol |
| SMILES | C1(=CC=CC=C1C(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F)F |