| SpectraBase Compound ID | 12OHiMiI6jF |
|---|---|
| InChI | InChI=1S/C21H23FO4/c1-2-3-4-9-14-25-20(23)17-11-6-7-12-18(17)21(24)26-15-16-10-5-8-13-19(16)22/h5-8,10-13H,2-4,9,14-15H2,1H3 |
| InChIKey | CCPMJBBPZSUYCW-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 | AE1PHVJpkav |
|---|---|
| Name | Phthalic acid, 2-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/c1-2-3-4-9-14-25-20(23)17-11-6-7-12-18(17)21(24)26-15-16-10-5-8-13-19(16)22/h5-8,10-13H,2-4,9,14-15H2,1H3 |
| InChIKey | CCPMJBBPZSUYCW-UHFFFAOYSA-N |
| Molecular Weight | 358.409 g/mol |
| SMILES | C1=CC=CC(=C1C(OCCCCCC)=O)C(OCC1=CC=CC=C1F)=O |