| SpectraBase Compound ID | NQZX5qcJkS |
|---|---|
| InChI | InChI=1S/C19H19FO4/c1-2-3-8-13-23-18(21)14-9-4-5-10-15(14)19(22)24-17-12-7-6-11-16(17)20/h4-7,9-12H,2-3,8,13H2,1H3 |
| InChIKey | MBGPJVWOLNQMSJ-UHFFFAOYSA-N |
| Mol Weight | 330.36 g/mol |
| Molecular Formula | C19H19FO4 |
| Exact Mass | 330.126737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7NWGcewTDQv |
|---|---|
| Name | Phthalic acid, 2-fluorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.126737251 u |
| Formula | C19H19FO4 |
| InChI | InChI=1S/C19H19FO4/c1-2-3-8-13-23-18(21)14-9-4-5-10-15(14)19(22)24-17-12-7-6-11-16(17)20/h4-7,9-12H,2-3,8,13H2,1H3 |
| InChIKey | MBGPJVWOLNQMSJ-UHFFFAOYSA-N |
| Molecular Weight | 330.355 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCC)=O)C(OC1=CC=CC=C1F)=O |