| SpectraBase Compound ID | 77hET7yNcNy |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-3-10(13)8-5-6-12(15)9(7-8)11(14)4-2/h5-7,15H,3-4H2,1-2H3 |
| InChIKey | COHOJRAWFSIJMI-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GF8I3WdCRd |
|---|---|
| Name | 2,4-Dipropionylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-3-10(13)8-5-6-12(15)9(7-8)11(14)4-2/h5-7,15H,3-4H2,1-2H3 |
| InChIKey | COHOJRAWFSIJMI-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | OC1=C(C=C(C=C1)C(CC)=O)C(CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.992777 |