| SpectraBase Compound ID | EwXauMK0ODA |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-4-10(12)9-5-6-11(13)8(3)7(9)2/h5-6,13H,4H2,1-3H3 |
| InChIKey | RTSMTAZPUWUIKC-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 | HIUwo4rAyMZ |
|---|---|
| Name | 2',3'-Dimethyl-4'-hydroxypropiophenone |
| 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/c1-4-10(12)9-5-6-11(13)8(3)7(9)2/h5-6,13H,4H2,1-3H3 |
| InChIKey | RTSMTAZPUWUIKC-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | OC=1C=CC(=C(C1C)C)C(CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.924277 |