| SpectraBase Compound ID | 5vtcWuFpKJx |
|---|---|
| InChI | InChI=1S/C16H21FO4/c1-2-12-20-15(18)10-4-3-5-11-16(19)21-14-9-7-6-8-13(14)17/h6-9H,2-5,10-12H2,1H3 |
| InChIKey | OSYCZUNSLMMURA-UHFFFAOYSA-N |
| Mol Weight | 296.34 g/mol |
| Molecular Formula | C16H21FO4 |
| Exact Mass | 296.142387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LEA1kEQUVf6 |
|---|---|
| Name | Pimelic acid, 2-fluorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.142387315 u |
| Formula | C16H21FO4 |
| InChI | InChI=1S/C16H21FO4/c1-2-12-20-15(18)10-4-3-5-11-16(19)21-14-9-7-6-8-13(14)17/h6-9H,2-5,10-12H2,1H3 |
| InChIKey | OSYCZUNSLMMURA-UHFFFAOYSA-N |
| Molecular Weight | 296.338 g/mol |
| SMILES | C(CCCC(OCCC)=O)CC(OC=1C=CC=CC1F)=O |