| SpectraBase Compound ID | 1aFI4BgqRyW |
|---|---|
| InChI | InChI=1S/C14H12O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey | LLRZUDIHEZXFGV-UHFFFAOYSA-N |
| Mol Weight | 212.25 g/mol |
| Molecular Formula | C14H12O2 |
| Exact Mass | 212.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Dm9cTvyClmF |
|---|---|
| Name | Benzoic acid, p-tolyl 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/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey | LLRZUDIHEZXFGV-UHFFFAOYSA-N |
| Molecular Weight | 212.248 g/mol |
| SMILES | C=1C(=CC=CC1)C(OC=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.926402 |