| SpectraBase Compound ID | 3oGxuCdNx1P |
|---|---|
| InChI | InChI=1S/C9H18O/c1-7(2)5-6-9(10)8(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey | HFNWDYQEGABWQS-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 | LGAD3RQfVKb |
|---|---|
| Name | 2,6-Dimethyl-3-heptanone |
| 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/c1-7(2)5-6-9(10)8(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey | HFNWDYQEGABWQS-UHFFFAOYSA-N |
| Molecular Weight | 142.242 g/mol |
| SMILES | CC(C(=O)CCC(C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.985439 |