| SpectraBase Compound ID | ECrUdRZl4oY |
|---|---|
| InChI | InChI=1S/C22H20O3/c23-22(16-11-18-7-3-1-4-8-18)25-21-14-12-20(13-15-21)24-17-19-9-5-2-6-10-19/h1-10,12-15H,11,16-17H2 |
| InChIKey | ROBBAEHOOIWETD-UHFFFAOYSA-N |
| Mol Weight | 332.4 g/mol |
| Molecular Formula | C22H20O3 |
| Exact Mass | 332.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6S1ODR3sNST |
|---|---|
| Name | 3-Phenylpropionic acid, 4-benzyloxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.141244501 u |
| Formula | C22H20O3 |
| InChI | InChI=1S/C22H20O3/c23-22(16-11-18-7-3-1-4-8-18)25-21-14-12-20(13-15-21)24-17-19-9-5-2-6-10-19/h1-10,12-15H,11,16-17H2 |
| InChIKey | ROBBAEHOOIWETD-UHFFFAOYSA-N |
| Molecular Weight | 332.399 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(OC1=CC=C(C=C1)OCC1=CC=CC=C1)=O |