| SpectraBase Compound ID | LSxOMhxQ5AA |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-8-5-4-6-10(7-8)9(2)11(12)13-3/h4-7H,2H2,1,3H3 |
| InChIKey | QYSYVVAVOONOGH-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7ZboarnF5rT |
|---|---|
| Name | Methyl 2-(3-tolyl)acrylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-8-5-4-6-10(7-8)9(2)11(12)13-3/h4-7H,2H2,1,3H3 |
| InChIKey | QYSYVVAVOONOGH-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(C(=O)OC)(C=1C=C(C)C=CC1)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949362 |