| SpectraBase Compound ID | BzzooyNLjJ9 |
|---|---|
| InChI | InChI=1S/C21H31FO4/c1-2-16-25-20(23)13-7-5-3-4-6-8-14-21(24)26-17-15-18-11-9-10-12-19(18)22/h9-12H,2-8,13-17H2,1H3 |
| InChIKey | GZIMVAVNYGXMQO-UHFFFAOYSA-N |
| Mol Weight | 366.47 g/mol |
| Molecular Formula | C21H31FO4 |
| Exact Mass | 366.220638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3G6RKzoVuK |
|---|---|
| Name | Sebacic acid, 2-(2-fluorophenyl)ethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.220637637 u |
| Formula | C21H31FO4 |
| InChI | InChI=1S/C21H31FO4/c1-2-16-25-20(23)13-7-5-3-4-6-8-14-21(24)26-17-15-18-11-9-10-12-19(18)22/h9-12H,2-8,13-17H2,1H3 |
| InChIKey | GZIMVAVNYGXMQO-UHFFFAOYSA-N |
| Molecular Weight | 366.473 g/mol |
| SMILES | C(CCCCCCC(OCCC)=O)CC(OCCC1=C(C=CC=C1)F)=O |