| SpectraBase Compound ID | 3ZXARFyhMsM |
|---|---|
| InChI | InChI=1S/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3 |
| InChIKey | ARIREUPIXAKDAY-UHFFFAOYSA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C11H14O |
| Exact Mass | 162.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JKugaTRo9GL |
|---|---|
| Name | Benzaldehyde, 4-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.104465070 u |
| Formula | C11H14O |
| InChI | InChI=1S/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3 |
| InChIKey | ARIREUPIXAKDAY-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | C(CC1=CC=C(C=C1)C=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963207 |