| SpectraBase Compound ID | FVfoLi5SQHL |
|---|---|
| InChI | InChI=1S/C19H27FO4/c1-3-4-5-8-14-23-18(21)12-9-13-19(22)24-15(2)16-10-6-7-11-17(16)20/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3 |
| InChIKey | YHXCLGFDQXMCRK-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 | 6F0qFxXQkT0 |
|---|---|
| Name | Glutaric acid, 1-(2-fluorophenyl)ethyl hexyl 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/c1-3-4-5-8-14-23-18(21)12-9-13-19(22)24-15(2)16-10-6-7-11-17(16)20/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3 |
| InChIKey | YHXCLGFDQXMCRK-UHFFFAOYSA-N |
| Molecular Weight | 338.419 g/mol |
| SMILES | C(OC(C1=C(C=CC=C1)F)C)(=O)CCCC(OCCCCCC)=O |