| SpectraBase Compound ID | 2OkjPdylWJR |
|---|---|
| InChI | InChI=1S/C15H14O2/c1-12-6-5-9-14(10-12)15(16)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3 |
| InChIKey | MQFWKCFSZJWETP-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 | 8lTjXL2OGeP |
|---|---|
| Name | m-Toluic acid, benzyl 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/c1-12-6-5-9-14(10-12)15(16)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3 |
| InChIKey | MQFWKCFSZJWETP-UHFFFAOYSA-N |
| Molecular Weight | 226.275 g/mol |
| SMILES | C1(=CC=CC=C1)COC(C1=CC=CC(=C1)C)=O |