| SpectraBase Compound ID | G9aHkZUIwG |
|---|---|
| InChI | InChI=1S/C19H27FO4/c1-3-5-6-10-15(4-2)23-18(21)13-9-14-19(22)24-17-12-8-7-11-16(17)20/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3 |
| InChIKey | QBEBTPCFVVVQMX-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 | FCLh5HOFXoy |
|---|---|
| Name | Glutaric acid, 2-fluorophenyl 3-octyl 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/c1-3-5-6-10-15(4-2)23-18(21)13-9-14-19(22)24-17-12-8-7-11-16(17)20/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3 |
| InChIKey | QBEBTPCFVVVQMX-UHFFFAOYSA-N |
| Molecular Weight | 338.419 g/mol |
| SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OC(CCCCC)CC)=O |