| SpectraBase Compound ID | Es17PJ0YMpM |
|---|---|
| InChI | InChI=1S/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3 |
| InChIKey | AWKBVLVKQQRRFQ-UHFFFAOYSA-N |
| Mol Weight | 148.2 g/mol |
| Molecular Formula | C10H12O |
| Exact Mass | 148.088815 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Gi5SYfpku6i |
|---|---|
| Name | 2',5'-Dimethylacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.088815005 u |
| Formula | C10H12O |
| InChI | InChI=1S/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3 |
| InChIKey | AWKBVLVKQQRRFQ-UHFFFAOYSA-N |
| Molecular Weight | 148.205 g/mol |
| SMILES | C1=C(C(=CC(=C1)C)C(C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.953225 |