| SpectraBase Compound ID | Hv3UD37sa5K |
|---|---|
| InChI | InChI=1S/C10H20O/c1-5-8(3)7-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3 |
| InChIKey | ULZRGXGFTLSVAD-UHFFFAOYSA-N |
| Mol Weight | 156.27 g/mol |
| Molecular Formula | C10H20O |
| Exact Mass | 156.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2lYJdAfoYzI |
|---|---|
| Name | 3,6-Dimethyl-4-octanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.151415263 u |
| Formula | C10H20O |
| InChI | InChI=1S/C10H20O/c1-5-8(3)7-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3 |
| InChIKey | ULZRGXGFTLSVAD-UHFFFAOYSA-N |
| Molecular Weight | 156.269 g/mol |
| SMILES | CCC(CC(C(CC)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977634 |