| SpectraBase Compound ID | IlX3LQC6hyI |
|---|---|
| InChI | InChI=1S/C17H23FO4/c1-2-3-6-12-21-16(19)10-4-5-11-17(20)22-15-9-7-8-14(18)13-15/h7-9,13H,2-6,10-12H2,1H3 |
| InChIKey | GORABZKXZFWURW-UHFFFAOYSA-N |
| Mol Weight | 310.37 g/mol |
| Molecular Formula | C17H23FO4 |
| Exact Mass | 310.158037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Nj9fYjG52U |
|---|---|
| Name | Adipic acid, 3-fluorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.158037380 u |
| Formula | C17H23FO4 |
| InChI | InChI=1S/C17H23FO4/c1-2-3-6-12-21-16(19)10-4-5-11-17(20)22-15-9-7-8-14(18)13-15/h7-9,13H,2-6,10-12H2,1H3 |
| InChIKey | GORABZKXZFWURW-UHFFFAOYSA-N |
| Molecular Weight | 310.365 g/mol |
| SMILES | C(C(=O)OC1=CC(=CC=C1)F)CCCC(OCCCCC)=O |