| SpectraBase Compound ID | DdCiGKyWbEr |
|---|---|
| InChI | InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-7H,1H2,2-4H3/b9-7+ |
| InChIKey | XUINKEIPBTYUJP-VQHVLOKHSA-N |
| Mol Weight | 150.22 g/mol |
| Molecular Formula | C10H14O |
| Exact Mass | 150.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2PbljXcgEIO |
|---|---|
| Name | (E)-2,6-Dimethylocta-2,5,7-trien-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.104465070 u |
| Formula | C10H14O |
| InChI | InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-7H,1H2,2-4H3/b9-7+ |
| InChIKey | XUINKEIPBTYUJP-VQHVLOKHSA-N |
| Molecular Weight | 150.221 g/mol |
| SMILES | C(\C=C/(C)C=C)(C=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900934 |