| SpectraBase Compound ID | C9mCryiujZS |
|---|---|
| InChI | InChI=1S/C16H15FO2/c17-15-10-8-14(9-11-15)16(18)19-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2 |
| InChIKey | SRUSUZRRSKVWSI-UHFFFAOYSA-N |
| Mol Weight | 258.29 g/mol |
| Molecular Formula | C16H15FO2 |
| Exact Mass | 258.105608 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AG6MYsnojWb |
|---|---|
| Name | 4-Fluorobenzoic acid, 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.105607884 u |
| Formula | C16H15FO2 |
| InChI | InChI=1S/C16H15FO2/c17-15-10-8-14(9-11-15)16(18)19-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2 |
| InChIKey | SRUSUZRRSKVWSI-UHFFFAOYSA-N |
| Molecular Weight | 258.292 g/mol |
| SMILES | C1=CC=CC=C1CCCOC(=O)C=1C=CC(F)=CC1 |