| SpectraBase Compound ID | JfR580275fK |
|---|---|
| InChI | InChI=1S/C9H6F4O2/c10-7-3-1-2-6(4-7)8(14)15-5-9(11,12)13/h1-4H,5H2 |
| InChIKey | GRIYXWVUDQPNLK-UHFFFAOYSA-N |
| Mol Weight | 222.14 g/mol |
| Molecular Formula | C9H6F4O2 |
| Exact Mass | 222.030392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5m2nBzCUOJV |
|---|---|
| Name | 3-Fluorobenzoic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.030392083 u |
| Formula | C9H6F4O2 |
| InChI | InChI=1S/C9H6F4O2/c10-7-3-1-2-6(4-7)8(14)15-5-9(11,12)13/h1-4H,5H2 |
| InChIKey | GRIYXWVUDQPNLK-UHFFFAOYSA-N |
| Molecular Weight | 222.139 g/mol |
| SMILES | C(COC(C1=CC=CC(=C1)F)=O)(F)(F)F |