| SpectraBase Compound ID | D9HpwJycWA6 |
|---|---|
| InChI | InChI=1S/C16H19FO4/c1-2-20-15(18)13-8-3-4-9-14(13)16(19)21-12-7-5-6-11(17)10-12/h5-7,10,13-14H,2-4,8-9H2,1H3 |
| InChIKey | CBUVXQYXBSAYEI-UHFFFAOYSA-N |
| Mol Weight | 294.32 g/mol |
| Molecular Formula | C16H19FO4 |
| Exact Mass | 294.126737 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 | Css55MUfIzv |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, ethyl 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.126737251 u |
| Formula | C16H19FO4 |
| InChI | InChI=1S/C16H19FO4/c1-2-20-15(18)13-8-3-4-9-14(13)16(19)21-12-7-5-6-11(17)10-12/h5-7,10,13-14H,2-4,8-9H2,1H3 |
| InChIKey | CBUVXQYXBSAYEI-UHFFFAOYSA-N |
| Molecular Weight | 294.322 g/mol |
| SMILES | C1C(C(CCC1)C(OC1=CC=CC(=C1)F)=O)C(OCC)=O |