| SpectraBase Compound ID | 1YyB7BQBPsg |
|---|---|
| InChI | InChI=1S/C22H33FO4/c1-2-3-4-5-6-7-8-9-10-17-26-21(24)15-16-22(25)27-18-19-11-13-20(23)14-12-19/h11-14H,2-10,15-18H2,1H3 |
| InChIKey | PQCHAHNWFANKLG-UHFFFAOYSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C22H33FO4 |
| Exact Mass | 380.236288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77YYXMj3A85 |
|---|---|
| Name | Succinic acid, 4-fluorobenzyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.236287702 u |
| Formula | C22H33FO4 |
| InChI | InChI=1S/C22H33FO4/c1-2-3-4-5-6-7-8-9-10-17-26-21(24)15-16-22(25)27-18-19-11-13-20(23)14-12-19/h11-14H,2-10,15-18H2,1H3 |
| InChIKey | PQCHAHNWFANKLG-UHFFFAOYSA-N |
| Molecular Weight | 380.500 g/mol |
| SMILES | C(CCC(OCC1=CC=C(C=C1)F)=O)(OCCCCCCCCCCC)=O |