| SpectraBase Compound ID | 7hVDCHj8hIP |
|---|---|
| InChI | InChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h8H,2-7H2,1H3 |
| InChIKey | KWUBTLAZZWBMRT-UHFFFAOYSA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 68c7FkHSeFt |
|---|---|
| Name | 2-Hexylacrolein |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.120115134 u |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h8H,2-7H2,1H3 |
| InChIKey | KWUBTLAZZWBMRT-UHFFFAOYSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | C(=C)(C=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910985 |