| SpectraBase Compound ID | 9xGDB8IVyvI |
|---|---|
| InChI | InChI=1S/C21H23FO4/c1-2-3-4-5-10-15-25-20(23)16-11-6-7-12-17(16)21(24)26-19-14-9-8-13-18(19)22/h6-9,11-14H,2-5,10,15H2,1H3 |
| InChIKey | GHSDFWACKBPASB-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 | SfNyCYX0VZ |
|---|---|
| Name | Phthalic acid, 2-fluorophenyl heptyl 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/c1-2-3-4-5-10-15-25-20(23)16-11-6-7-12-17(16)21(24)26-19-14-9-8-13-18(19)22/h6-9,11-14H,2-5,10,15H2,1H3 |
| InChIKey | GHSDFWACKBPASB-UHFFFAOYSA-N |
| Molecular Weight | 358.409 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCCCC)=O)C(OC1=CC=CC=C1F)=O |