| SpectraBase Compound ID | 11IF3wpuhnm |
|---|---|
| InChI | InChI=1S/C19H27FO4/c1-2-3-4-5-8-14-23-18(21)12-9-13-19(22)24-15-16-10-6-7-11-17(16)20/h6-7,10-11H,2-5,8-9,12-15H2,1H3 |
| InChIKey | FBUOPWCSHQSEJM-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 | Jy4rY5A2Nry |
|---|---|
| Name | Glutaric acid, 2-fluorobenzyl 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/c1-2-3-4-5-8-14-23-18(21)12-9-13-19(22)24-15-16-10-6-7-11-17(16)20/h6-7,10-11H,2-5,8-9,12-15H2,1H3 |
| InChIKey | FBUOPWCSHQSEJM-UHFFFAOYSA-N |
| Molecular Weight | 338.419 g/mol |
| SMILES | C(OCC1=C(C=CC=C1)F)(=O)CCCC(OCCCCCCC)=O |