| SpectraBase Compound ID | 6cU9K0czh2t |
|---|---|
| InChI | InChI=1S/C11H10O3/c1-8(2)11(13)14-10-5-3-9(7-12)4-6-10/h3-7H,1H2,2H3 |
| InChIKey | NBKFKDJHUNQQKY-UHFFFAOYSA-N |
| Mol Weight | 190.2 g/mol |
| Molecular Formula | C11H10O3 |
| Exact Mass | 190.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HQpFSKzy5qB |
|---|---|
| Name | 2-Propenoic acid, 2-methyl-, 4-formylphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.062994179 u |
| Formula | C11H10O3 |
| InChI | InChI=1S/C11H10O3/c1-8(2)11(13)14-10-5-3-9(7-12)4-6-10/h3-7H,1H2,2H3 |
| InChIKey | NBKFKDJHUNQQKY-UHFFFAOYSA-N |
| Molecular Weight | 190.198 g/mol |
| SMILES | CC(=C)C(=O)OC1=CC=C(C=C1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92351 |