| SpectraBase Compound ID | DbM1WvC3xjm |
|---|---|
| InChI | InChI=1S/C16H16O3/c1-18-14-8-10-15(11-9-14)19-16(17)12-7-13-5-3-2-4-6-13/h2-6,8-11H,7,12H2,1H3 |
| InChIKey | DLYKJMSERWHROY-UHFFFAOYSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C16H16O3 |
| Exact Mass | 256.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69O7xkmwSD7 |
|---|---|
| Name | 3-Phenylpropionic acid, 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.109944372 u |
| Formula | C16H16O3 |
| InChI | InChI=1S/C16H16O3/c1-18-14-8-10-15(11-9-14)19-16(17)12-7-13-5-3-2-4-6-13/h2-6,8-11H,7,12H2,1H3 |
| InChIKey | DLYKJMSERWHROY-UHFFFAOYSA-N |
| Molecular Weight | 256.301 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(OC1=CC=C(OC)C=C1)=O |