| SpectraBase Compound ID | IYGQTaLFZPw |
|---|---|
| InChI | InChI=1S/C15H14O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2 |
| InChIKey | VIGODTIMSIHKSD-UHFFFAOYSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C15H14O2 |
| Exact Mass | 226.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DLqOVvSLR8l |
|---|---|
| Name | 3-Phenylpropionic acid, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.099379689 u |
| Formula | C15H14O2 |
| InChI | InChI=1S/C15H14O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2 |
| InChIKey | VIGODTIMSIHKSD-UHFFFAOYSA-N |
| Molecular Weight | 226.275 g/mol |
| SMILES | C1=CC(=CC=C1)CCC(OC1=CC=CC=C1)=O |