| SpectraBase Compound ID | L9BjcSdtueP |
|---|---|
| InChI | InChI=1S/C19H27FO4/c1-3-4-5-6-9-14-23-18(21)12-13-19(22)24-15(2)16-10-7-8-11-17(16)20/h7-8,10-11,15H,3-6,9,12-14H2,1-2H3 |
| InChIKey | SDXBCSZHGZUTRK-UHFFFAOYSA-N |
| Mol Weight | 338.42 g/mol |
| Molecular Formula | C19H27FO4 |
| Exact Mass | 338.189338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | PSuWGnFMI6 |
|---|---|
| Name | Succinic acid, 1-(2-fluorophenyl)ethyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.189337508 u |
| Formula | C19H27FO4 |
| InChI | InChI=1S/C19H27FO4/c1-3-4-5-6-9-14-23-18(21)12-13-19(22)24-15(2)16-10-7-8-11-17(16)20/h7-8,10-11,15H,3-6,9,12-14H2,1-2H3 |
| InChIKey | SDXBCSZHGZUTRK-UHFFFAOYSA-N |
| Molecular Weight | 338.419 g/mol |
| SMILES | C(CCC(OC(C1=CC=CC=C1F)C)=O)(OCCCCCCC)=O |