| SpectraBase Compound ID | 2YZNCk7YkVF |
|---|---|
| InChI | InChI=1S/C13H20O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3 |
| InChIKey | PUAHZQALAWRSNP-UHFFFAOYSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C13H20O2 |
| Exact Mass | 208.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IH10TOruRkL |
|---|---|
| Name | 3-Phenylpropanal diethyl acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.146329882 u |
| Formula | C13H20O2 |
| InChI | InChI=1S/C13H20O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3 |
| InChIKey | PUAHZQALAWRSNP-UHFFFAOYSA-N |
| Molecular Weight | 208.301 g/mol |
| SMILES | C(CCC1=CC=CC=C1)(OCC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939215 |