| SpectraBase Compound ID | AfiyMQEUt7y |
|---|---|
| InChI | InChI=1S/C13H4F6O2/c14-6-4-2-1-3-5(6)13(20)21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H |
| InChIKey | IHTAXFVWOYSVBK-UHFFFAOYSA-N |
| Mol Weight | 306.16 g/mol |
| Molecular Formula | C13H4F6O2 |
| Exact Mass | 306.011548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8C5QOekvJum |
|---|---|
| Name | 2-Fluorobenzoic acid, pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.011548345 u |
| Formula | C13H4F6O2 |
| InChI | InChI=1S/C13H4F6O2/c14-6-4-2-1-3-5(6)13(20)21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H |
| InChIKey | IHTAXFVWOYSVBK-UHFFFAOYSA-N |
| Molecular Weight | 306.163 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)F |