| SpectraBase Compound ID | Da9OHdhBOXt |
|---|---|
| InChI | InChI=1S/C9H18O/c1-3-5-6-7-9(4-2)8-10/h8-9H,3-7H2,1-2H3 |
| InChIKey | XGFJTLRIXGSGFE-UHFFFAOYSA-N |
| Mol Weight | 142.24 g/mol |
| Molecular Formula | C9H18O |
| Exact Mass | 142.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8DqKZ6CZ4yA |
|---|---|
| Name | 2-Ethylheptanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.135765199 u |
| Formula | C9H18O |
| InChI | InChI=1S/C9H18O/c1-3-5-6-7-9(4-2)8-10/h8-9H,3-7H2,1-2H3 |
| InChIKey | XGFJTLRIXGSGFE-UHFFFAOYSA-N |
| Molecular Weight | 142.242 g/mol |
| SMILES | C(=O)C(CC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903369 |