| SpectraBase Compound ID | EFD02R42Soq |
|---|---|
| InChI | InChI=1S/C21H23FO4/c1-2-3-4-7-13-25-20(23)18-11-5-6-12-19(18)21(24)26-15-16-9-8-10-17(22)14-16/h5-6,8-12,14H,2-4,7,13,15H2,1H3 |
| InChIKey | REZJCDNWEUAKQR-UHFFFAOYSA-N |
| Mol Weight | 358.41 g/mol |
| Molecular Formula | C21H23FO4 |
| Exact Mass | 358.158037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IImDaGIrLyX |
|---|---|
| Name | Phthalic acid, 3-fluorobenzyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.158037380 u |
| Formula | C21H23FO4 |
| InChI | InChI=1S/C21H23FO4/c1-2-3-4-7-13-25-20(23)18-11-5-6-12-19(18)21(24)26-15-16-9-8-10-17(22)14-16/h5-6,8-12,14H,2-4,7,13,15H2,1H3 |
| InChIKey | REZJCDNWEUAKQR-UHFFFAOYSA-N |
| Molecular Weight | 358.409 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC1=CC=CC(=C1)F)=O)(OCCCCCC)=O |