| SpectraBase Compound ID | AAmEShNmgLI |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-4-14-11-7-5-10(6-8-11)12(2,3)9-13/h5-9H,4H2,1-3H3 |
| InChIKey | BTCIFTQVULXRDT-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | XzKJSXy6Oq |
|---|---|
| Name | Propanal, 2-(4-ethoxyphenyl)-2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-4-14-11-7-5-10(6-8-11)12(2,3)9-13/h5-9H,4H2,1-3H3 |
| InChIKey | BTCIFTQVULXRDT-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1=C(C=CC(=C1)OCC)C(C)(C)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965882 |