| SpectraBase Compound ID | 1UwZCNutRnJ |
|---|---|
| InChI | InChI=1S/C10H20O/c1-5-6-8(2)7-9(3)10(4)11/h8-9H,5-7H2,1-4H3 |
| InChIKey | HSMZFNPREAWEOC-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 | KPS79CCVSYY |
|---|---|
| Name | 3,5-Dimethyl-2-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/c1-5-6-8(2)7-9(3)10(4)11/h8-9H,5-7H2,1-4H3 |
| InChIKey | HSMZFNPREAWEOC-UHFFFAOYSA-N |
| Molecular Weight | 156.269 g/mol |
| SMILES | C(C)CC(C)CC(C)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969303 |