| SpectraBase Compound ID | CjEHXXpOl0s |
|---|---|
| InChI | InChI=1S/C17H15FO4/c1-2-21-16(19)14-5-3-4-6-15(14)17(20)22-11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3 |
| InChIKey | WOVFTHQUSHTQRG-UHFFFAOYSA-N |
| Mol Weight | 302.3 g/mol |
| Molecular Formula | C17H15FO4 |
| Exact Mass | 302.095437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HW32znNjKFN |
|---|---|
| Name | Phthalic acid, ethyl 4-fluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.095437122 u |
| Formula | C17H15FO4 |
| InChI | InChI=1S/C17H15FO4/c1-2-21-16(19)14-5-3-4-6-15(14)17(20)22-11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3 |
| InChIKey | WOVFTHQUSHTQRG-UHFFFAOYSA-N |
| Molecular Weight | 302.301 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC1=CC=C(C=C1)F)=O)(OCC)=O |