| SpectraBase Compound ID | 1wBeFtSnZ8 |
|---|---|
| InChI | InChI=1S/C21H31FO4/c1-2-3-4-5-6-7-12-17-25-20(23)15-10-11-16-21(24)26-19-14-9-8-13-18(19)22/h8-9,13-14H,2-7,10-12,15-17H2,1H3 |
| InChIKey | DHHOZWJNOQHHEL-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 | 8Xe5ErjHnh2 |
|---|---|
| Name | Adipic acid, 2-fluorophenyl nonyl 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/c1-2-3-4-5-6-7-12-17-25-20(23)15-10-11-16-21(24)26-19-14-9-8-13-18(19)22/h8-9,13-14H,2-7,10-12,15-17H2,1H3 |
| InChIKey | DHHOZWJNOQHHEL-UHFFFAOYSA-N |
| Molecular Weight | 366.473 g/mol |
| SMILES | C(CCCC(=O)OC1=C(C=CC=C1)F)C(OCCCCCCCCC)=O |