| SpectraBase Compound ID | 4eFZKFQS05s |
|---|---|
| InChI | InChI=1S/C8H16O/c1-5-6-7(9)8(2,3)4/h5-6H2,1-4H3 |
| InChIKey | PYCHXHVFOZBVEY-UHFFFAOYSA-N |
| Mol Weight | 128.21 g/mol |
| Molecular Formula | C8H16O |
| Exact Mass | 128.120115 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HOn7Y2hVIAO |
|---|---|
| Name | 2,2-Dimethyl-3-hexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.120115134 u |
| Formula | C8H16O |
| InChI | InChI=1S/C8H16O/c1-5-6-7(9)8(2,3)4/h5-6H2,1-4H3 |
| InChIKey | PYCHXHVFOZBVEY-UHFFFAOYSA-N |
| Molecular Weight | 128.215 g/mol |
| SMILES | CCCC(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.981267 |