| SpectraBase Compound ID | 3IlgmbjyQNH |
|---|---|
| InChI | InChI=1S/C9H16O/c1-9(2)7-5-3-4-6-8-10/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+ |
| InChIKey | FZVMEYWMTUXZJF-GQCTYLIASA-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 | CscrsIfz2si |
|---|---|
| Name | 2-Isononenal |
| 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/c1-9(2)7-5-3-4-6-8-10/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+ |
| InChIKey | FZVMEYWMTUXZJF-GQCTYLIASA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | C(\C=C\C=O)CCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942876 |