| SpectraBase Compound ID | 5Lu4EILa0Al |
|---|---|
| InChI | InChI=1S/C11H22O/c1-9(2)5-7-11(12)8-6-10(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | JQCWLRHNAHIIGW-UHFFFAOYSA-N |
| Mol Weight | 170.3 g/mol |
| Molecular Formula | C11H22O |
| Exact Mass | 170.167065 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EOFSQkr4VGL |
|---|---|
| Name | 2,8-Dimethyl-5-nonanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.167065327 u |
| Formula | C11H22O |
| InChI | InChI=1S/C11H22O/c1-9(2)5-7-11(12)8-6-10(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | JQCWLRHNAHIIGW-UHFFFAOYSA-N |
| Molecular Weight | 170.296 g/mol |
| SMILES | CC(CCC(CCC(C)C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.902501 |