| SpectraBase Compound ID | EwUu9wkAphw |
|---|---|
| InChI | InChI=1S/C23H35FO4/c1-2-3-4-5-6-7-8-14-19-27-22(25)17-10-9-11-18-23(26)28-21-16-13-12-15-20(21)24/h12-13,15-16H,2-11,14,17-19H2,1H3 |
| InChIKey | CROJEBLCPKODLG-UHFFFAOYSA-N |
| Mol Weight | 394.5 g/mol |
| Molecular Formula | C23H35FO4 |
| Exact Mass | 394.251938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L8wT6ydwvnu |
|---|---|
| Name | Pimelic acid, decyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.251937766 u |
| Formula | C23H35FO4 |
| InChI | InChI=1S/C23H35FO4/c1-2-3-4-5-6-7-8-14-19-27-22(25)17-10-9-11-18-23(26)28-21-16-13-12-15-20(21)24/h12-13,15-16H,2-11,14,17-19H2,1H3 |
| InChIKey | CROJEBLCPKODLG-UHFFFAOYSA-N |
| Molecular Weight | 394.527 g/mol |
| SMILES | C(CCCC(OCCCCCCCCCC)=O)CC(OC=1C=CC=CC1F)=O |