| SpectraBase Compound ID | 9E2CqZ6Kygb |
|---|---|
| InChI | InChI=1S/C21H31FO4/c1-2-3-4-5-6-7-8-9-16-25-20(23)14-15-21(24)26-17-18-10-12-19(22)13-11-18/h10-13H,2-9,14-17H2,1H3 |
| InChIKey | OFKAKSKRXGCULS-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 | DoYhtd3TIgv |
|---|---|
| Name | Succinic acid, decyl 4-fluorobenzyl 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/c1-2-3-4-5-6-7-8-9-16-25-20(23)14-15-21(24)26-17-18-10-12-19(22)13-11-18/h10-13H,2-9,14-17H2,1H3 |
| InChIKey | OFKAKSKRXGCULS-UHFFFAOYSA-N |
| Molecular Weight | 366.473 g/mol |
| SMILES | C(CCC(OCC1=CC=C(C=C1)F)=O)(OCCCCCCCCCC)=O |