| SpectraBase Compound ID | CNNt4iXBaWA |
|---|---|
| InChI | InChI=1S/C14H17FO4/c1-2-18-13(16)9-5-6-10-14(17)19-12-8-4-3-7-11(12)15/h3-4,7-8H,2,5-6,9-10H2,1H3 |
| InChIKey | PCTKLHFKJUYCAK-UHFFFAOYSA-N |
| Mol Weight | 268.28 g/mol |
| Molecular Formula | C14H17FO4 |
| Exact Mass | 268.111087 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 | HTy125xaS5w |
|---|---|
| Name | Adipic acid, ethyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.111087186 u |
| Formula | C14H17FO4 |
| InChI | InChI=1S/C14H17FO4/c1-2-18-13(16)9-5-6-10-14(17)19-12-8-4-3-7-11(12)15/h3-4,7-8H,2,5-6,9-10H2,1H3 |
| InChIKey | PCTKLHFKJUYCAK-UHFFFAOYSA-N |
| Molecular Weight | 268.284 g/mol |
| SMILES | C(CCC(=O)OC1=CC=CC=C1F)CC(OCC)=O |