| SpectraBase Compound ID | GnIgS3C5IZ6 |
|---|---|
| InChI | InChI=1S/C17H23FO4/c1-3-4-8-13(2)21-16(19)11-7-12-17(20)22-15-10-6-5-9-14(15)18/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3 |
| InChIKey | GNADZUNLGJEUGZ-UHFFFAOYSA-N |
| Mol Weight | 310.37 g/mol |
| Molecular Formula | C17H23FO4 |
| Exact Mass | 310.158037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EqkK8gQWf7N |
|---|---|
| Name | Glutaric acid, 2-fluorophenyl 2-hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.158037380 u |
| Formula | C17H23FO4 |
| InChI | InChI=1S/C17H23FO4/c1-3-4-8-13(2)21-16(19)11-7-12-17(20)22-15-10-6-5-9-14(15)18/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3 |
| InChIKey | GNADZUNLGJEUGZ-UHFFFAOYSA-N |
| Molecular Weight | 310.365 g/mol |
| SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OC(CCCC)C)=O |