| SpectraBase Compound ID | 9UYuTOqz4Q |
|---|---|
| InChI | InChI=1S/C11H20O/c1-9(2)5-6-10(3)11(4)7-8-12/h8-9,11H,3,5-7H2,1-2,4H3 |
| InChIKey | QDORPOCNVROSEA-UHFFFAOYSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C11H20O |
| Exact Mass | 168.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G11GptK6Vsw |
|---|---|
| Name | 3,7-Dimethyl-4-methylideneoctanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.151415263 u |
| Formula | C11H20O |
| InChI | InChI=1S/C11H20O/c1-9(2)5-6-10(3)11(4)7-8-12/h8-9,11H,3,5-7H2,1-2,4H3 |
| InChIKey | QDORPOCNVROSEA-UHFFFAOYSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | C(CC(C(CCC(C)C)=C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944267 |