| SpectraBase Compound ID | 9jrTnXGaMWF |
|---|---|
| InChI | InChI=1S/C9H18O/c1-4-5-8(2)6-7-9(3)10/h8H,4-7H2,1-3H3 |
| InChIKey | UPVLGOPSYZTLGB-UHFFFAOYSA-N |
| Mol Weight | 142.24 g/mol |
| Molecular Formula | C9H18O |
| Exact Mass | 142.135765 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1K9jbIZsacf |
|---|---|
| Name | 5-Methyl-2-octanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.135765199 u |
| Formula | C9H18O |
| InChI | InChI=1S/C9H18O/c1-4-5-8(2)6-7-9(3)10/h8H,4-7H2,1-3H3 |
| InChIKey | UPVLGOPSYZTLGB-UHFFFAOYSA-N |
| Molecular Weight | 142.242 g/mol |
| SMILES | CCCC(CCC(C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.970378 |