| SpectraBase Compound ID | B2p6J3ImURY |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-5-9(7-10)8(2)12/h4-7H,3H2,1-2H3 |
| InChIKey | KHTGDCLCPJJWEY-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LHvzoLkkKhk |
|---|---|
| Name | Ethyl 3-acetylbenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-5-9(7-10)8(2)12/h4-7H,3H2,1-2H3 |
| InChIKey | KHTGDCLCPJJWEY-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(=O)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940507 |