| SpectraBase Compound ID | JuokWPRg5ds |
|---|---|
| InChI | InChI=1S/C13H18O/c1-9-6-7-11(10(2)8-9)12(14)13(3,4)5/h6-8H,1-5H3 |
| InChIKey | MVLBAIKXOSEZDJ-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4Y0KbviFgAt |
|---|---|
| Name | 2',4'-Dimethylpivalophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-9-6-7-11(10(2)8-9)12(14)13(3,4)5/h6-8H,1-5H3 |
| InChIKey | MVLBAIKXOSEZDJ-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C=1C(=C(C=C(C1)C)C)C(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.932558 |