| SpectraBase Compound ID | GNkqLSFRrLY |
|---|---|
| InChI | InChI=1S/C15H14O2/c1-12-6-5-9-14(10-12)17-15(16)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3 |
| InChIKey | LSWZGOVODYFNQO-UHFFFAOYSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C15H14O2 |
| Exact Mass | 226.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KHqrFGS1WaN |
|---|---|
| Name | Phenylacetic acid, m-tolyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| 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)17-15(16)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3 |
| InChIKey | LSWZGOVODYFNQO-UHFFFAOYSA-N |
| Molecular Weight | 226.275 g/mol |
| SMILES | C=1C(=CC=CC1)CC(OC=1C=CC=C(C1)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.979626 |