| SpectraBase Compound ID | 12HAa7v3VLG |
|---|---|
| InChI | InChI=1S/C19H27FO4/c1-3-5-9-15(4-2)14-23-18(21)12-8-13-19(22)24-17-11-7-6-10-16(17)20/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3 |
| InChIKey | QHKBKINLNKVSSB-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 | BWM2yxN3zYX |
|---|---|
| Name | Glutaric acid, 2-fluorophenyl 2-ethylhexyl 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/c1-3-5-9-15(4-2)14-23-18(21)12-8-13-19(22)24-17-11-7-6-10-16(17)20/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3 |
| InChIKey | QHKBKINLNKVSSB-UHFFFAOYSA-N |
| Molecular Weight | 338.419 g/mol |
| SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OCC(CC)CCCC)=O |