| SpectraBase Compound ID | ATqolNl9Ymk |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-3-9(2)11(12)13-10-7-5-4-6-8-10/h3-9H,1H2,2H3 |
| InChIKey | MPAJTXDTJOPTCR-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 | Y8MIOFwgsE |
|---|---|
| Name | Phenyl 2-methyl-3-butenoate |
| 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/c1-3-9(2)11(12)13-10-7-5-4-6-8-10/h3-9H,1H2,2H3 |
| InChIKey | MPAJTXDTJOPTCR-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(C(C=C)C)(=O)OC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930213 |