| SpectraBase Compound ID | 7IqguhCC7JC |
|---|---|
| InChI | InChI=1S/C9H14O/c1-3-4-5-6-7-9(2)8-10/h6,8H,3-5H2,1-2H3 |
| InChIKey | HBOMRKYJQYLPCA-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DMUCo7fb1i2 |
|---|---|
| Name | 2-Methyl-2,3-octadienal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.104465070 u |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-3-4-5-6-7-9(2)8-10/h6,8H,3-5H2,1-2H3 |
| InChIKey | HBOMRKYJQYLPCA-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | CC(C=O)=C=CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974399 |