| SpectraBase Compound ID | 1yASzjAFosg |
|---|---|
| InChI | InChI=1S/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2 |
| InChIKey | PBWQZEMADHTUIF-UHFFFAOYSA-N |
| Mol Weight | 160.22 g/mol |
| Molecular Formula | C11H12O |
| Exact Mass | 160.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3KgpA5CTzNM |
|---|---|
| Name | Benzeneacetaldehyde, .alpha.-2-propenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.088815005 u |
| Formula | C11H12O |
| InChI | InChI=1S/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2 |
| InChIKey | PBWQZEMADHTUIF-UHFFFAOYSA-N |
| Molecular Weight | 160.216 g/mol |
| SMILES | C1(=CC=CC=C1)C(CC=C)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935024 |