| SpectraBase Compound ID | 17aE9tkAY4u |
|---|---|
| InChI | InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h6H,4-5H2,1-3H3 |
| InChIKey | GYWYASONLSQZBB-UHFFFAOYSA-N |
| Mol Weight | 114.19 g/mol |
| Molecular Formula | C7H14O |
| Exact Mass | 114.104465 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8ao48e9qWkY |
|---|---|
| Name | 3-Methyl-2-hexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.104465070 u |
| Formula | C7H14O |
| InChI | InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h6H,4-5H2,1-3H3 |
| InChIKey | GYWYASONLSQZBB-UHFFFAOYSA-N |
| Molecular Weight | 114.188 g/mol |
| SMILES | C(=O)(C(CCC)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.885268 |