| SpectraBase Compound ID | xNDCBfsXyK |
|---|---|
| InChI | InChI=1S/C18H25FO4/c1-2-3-9-14-22-17(20)12-5-4-6-13-18(21)23-16-11-8-7-10-15(16)19/h7-8,10-11H,2-6,9,12-14H2,1H3 |
| InChIKey | DHLGFGOWKSVFBM-UHFFFAOYSA-N |
| Mol Weight | 324.39 g/mol |
| Molecular Formula | C18H25FO4 |
| Exact Mass | 324.173687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HheBv1V8NNB |
|---|---|
| Name | Pimelic acid, 2-fluorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.173687444 u |
| Formula | C18H25FO4 |
| InChI | InChI=1S/C18H25FO4/c1-2-3-9-14-22-17(20)12-5-4-6-13-18(21)23-16-11-8-7-10-15(16)19/h7-8,10-11H,2-6,9,12-14H2,1H3 |
| InChIKey | DHLGFGOWKSVFBM-UHFFFAOYSA-N |
| Molecular Weight | 324.392 g/mol |
| SMILES | C(CCCC(OCCCCC)=O)CC(OC=1C=CC=CC1F)=O |