| SpectraBase Compound ID | 7jIVJDjHQuy |
|---|---|
| InChI | InChI=1S/C15H14O2/c1-11-7-9-13(10-8-11)17-15(16)14-6-4-3-5-12(14)2/h3-10H,1-2H3 |
| InChIKey | MRTPLIKXWZGNKA-UHFFFAOYSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C15H14O2 |
| Exact Mass | 226.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8ToDLfz4CRQ |
|---|---|
| Name | p-Tolyl 2-methylbenzoate |
| 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/c1-11-7-9-13(10-8-11)17-15(16)14-6-4-3-5-12(14)2/h3-10H,1-2H3 |
| InChIKey | MRTPLIKXWZGNKA-UHFFFAOYSA-N |
| Molecular Weight | 226.275 g/mol |
| SMILES | C1(=CC=C(C=C1)C)OC(C1=C(C=CC=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866072 |