| SpectraBase Compound ID | HYWMFQH0qj0 |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-7-5-10(9(3)12)6-8(2)11(7)13-4/h5-6H,1-4H3 |
| InChIKey | OZNRJDZKCCJUJO-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CSqeLU0cXug |
|---|---|
| Name | 3',5'-Dimethyl-4'-methoxyacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-7-5-10(9(3)12)6-8(2)11(7)13-4/h5-6H,1-4H3 |
| InChIKey | OZNRJDZKCCJUJO-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C1=C(C=C(C(=C1C)OC)C)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.987381 |