| SpectraBase Compound ID | HKfgD6CNVgZ |
|---|---|
| InChI | InChI=1S/C16H20F2O4/c1-2-3-8-21-15(19)6-4-5-7-16(20)22-14-10-12(17)9-13(18)11-14/h9-11H,2-8H2,1H3 |
| InChIKey | GOMCRXGSDDCDHN-UHFFFAOYSA-N |
| Mol Weight | 314.33 g/mol |
| Molecular Formula | C16H20F2O4 |
| Exact Mass | 314.132965 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 | BdJfoZyx0Bn |
|---|---|
| Name | Adipic acid, butyl 3,5-difluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.132965446 u |
| Formula | C16H20F2O4 |
| InChI | InChI=1S/C16H20F2O4/c1-2-3-8-21-15(19)6-4-5-7-16(20)22-14-10-12(17)9-13(18)11-14/h9-11H,2-8H2,1H3 |
| InChIKey | GOMCRXGSDDCDHN-UHFFFAOYSA-N |
| Molecular Weight | 314.329 g/mol |
| SMILES | C(=O)(CCCCC(OCCCC)=O)OC1=CC(=CC(=C1)F)F |