| SpectraBase Compound ID | GA74lor9Vyq |
|---|---|
| InChI | InChI=1S/C14H12O2/c1-11-7-5-6-10-13(11)14(15)16-12-8-3-2-4-9-12/h2-10H,1H3 |
| InChIKey | MLBAJOWFHHXRJP-UHFFFAOYSA-N |
| Mol Weight | 212.25 g/mol |
| Molecular Formula | C14H12O2 |
| Exact Mass | 212.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EYVNc54F6tp |
|---|---|
| Name | o-Toluic acid, phenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.083729624 u |
| Formula | C14H12O2 |
| InChI | InChI=1S/C14H12O2/c1-11-7-5-6-10-13(11)14(15)16-12-8-3-2-4-9-12/h2-10H,1H3 |
| InChIKey | MLBAJOWFHHXRJP-UHFFFAOYSA-N |
| Molecular Weight | 212.248 g/mol |
| SMILES | C1=C(C(C(OC2=CC=CC=C2)=O)=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862354 |