| SpectraBase Compound ID | EOiPMXNmHbk |
|---|---|
| InChI | InChI=1S/C22H33FO4/c1-2-3-4-5-6-7-8-13-18-26-21(24)16-11-12-17-22(25)27-20-15-10-9-14-19(20)23/h9-10,14-15H,2-8,11-13,16-18H2,1H3 |
| InChIKey | FUHWCNPMHGQVSY-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 | 9a2WhU8rbMO |
|---|---|
| Name | Adipic acid, decyl 2-fluorophenyl 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/c1-2-3-4-5-6-7-8-13-18-26-21(24)16-11-12-17-22(25)27-20-15-10-9-14-19(20)23/h9-10,14-15H,2-8,11-13,16-18H2,1H3 |
| InChIKey | FUHWCNPMHGQVSY-UHFFFAOYSA-N |
| Molecular Weight | 380.500 g/mol |
| SMILES | C(CCC(=O)OC1=C(C=CC=C1)F)CC(OCCCCCCCCCC)=O |