| SpectraBase Compound ID | BjLLJ493cUp |
|---|---|
| InChI | InChI=1S/C16H16O2/c1-13-7-5-6-10-15(13)18-16(17)12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3 |
| InChIKey | VELJMHOCLLDCRB-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C16H16O2 |
| Exact Mass | 240.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HhrdiqOgHy9 |
|---|---|
| Name | 3-Phenylpropionic acid, 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.115029753 u |
| Formula | C16H16O2 |
| InChI | InChI=1S/C16H16O2/c1-13-7-5-6-10-15(13)18-16(17)12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3 |
| InChIKey | VELJMHOCLLDCRB-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | C1=CC(=CC=C1)CCC(OC1=CC=CC=C1C)=O |