| SpectraBase Compound ID | I7wzH3pzA1e |
|---|---|
| InChI | InChI=1S/C12H12F2O2/c13-9-6-3-7-10(14)11(9)12(15)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2 |
| InChIKey | RUSJTHFXWHFGRD-UHFFFAOYSA-N |
| Mol Weight | 226.22 g/mol |
| Molecular Formula | C12H12F2O2 |
| Exact Mass | 226.080536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JBRlpghpoY |
|---|---|
| Name | 2,6-Difluorobenzoic acid, cyclopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.080535950 u |
| Formula | C12H12F2O2 |
| InChI | InChI=1S/C12H12F2O2/c13-9-6-3-7-10(14)11(9)12(15)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2 |
| InChIKey | RUSJTHFXWHFGRD-UHFFFAOYSA-N |
| Molecular Weight | 226.223 g/mol |
| SMILES | C1(CCCC1)OC(C=1C(=CC=CC1F)F)=O |