| SpectraBase Compound ID | FoRmbyqQwj4 |
|---|---|
| InChI | InChI=1S/C17H23FO4/c1-2-3-8-13-21-16(19)11-6-7-12-17(20)22-15-10-5-4-9-14(15)18/h4-5,9-10H,2-3,6-8,11-13H2,1H3 |
| InChIKey | SEDLZPGFBXISNN-UHFFFAOYSA-N |
| Mol Weight | 310.37 g/mol |
| Molecular Formula | C17H23FO4 |
| Exact Mass | 310.158037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1xuy09CrnFj |
|---|---|
| Name | Adipic acid, 2-fluorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.158037380 u |
| Formula | C17H23FO4 |
| InChI | InChI=1S/C17H23FO4/c1-2-3-8-13-21-16(19)11-6-7-12-17(20)22-15-10-5-4-9-14(15)18/h4-5,9-10H,2-3,6-8,11-13H2,1H3 |
| InChIKey | SEDLZPGFBXISNN-UHFFFAOYSA-N |
| Molecular Weight | 310.365 g/mol |
| SMILES | C(CCC(=O)OC=1C(=CC=CC1)F)CC(OCCCCC)=O |