| SpectraBase Compound ID | 7OrhieJXekT |
|---|---|
| InChI | InChI=1S/C11H12O2/c12-7-2-1-4-10-5-3-6-11(8-10)9-13/h3,5-9H,1-2,4H2 |
| InChIKey | GDMFWRIPBITZGQ-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 | BSY3UIuFQMB |
|---|---|
| Name | 3-(4-Ketobutyl)benzaldehyde |
| 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/c12-7-2-1-4-10-5-3-6-11(8-10)9-13/h3,5-9H,1-2,4H2 |
| InChIKey | GDMFWRIPBITZGQ-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(=O)C=1C=C(CCCC=O)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833682 |