| SpectraBase Compound ID | 60mN4q5fpYB |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-4-11(12)13-10-6-5-8(2)9(3)7-10/h4-7H,1H2,2-3H3 |
| InChIKey | RINWDADNWLEAAN-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 | Cj1A6vJ1IUQ |
|---|---|
| Name | Acrylic acid, 3,4-dimethylphenyl ester |
| 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/c1-4-11(12)13-10-6-5-8(2)9(3)7-10/h4-7H,1H2,2-3H3 |
| InChIKey | RINWDADNWLEAAN-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(C=C)(=O)OC=1C=CC(C)=C(C)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866996 |