| SpectraBase Compound ID | 57qFRMjvzx8 |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-4-10(14)8-6-9(11(15)5-2)13(17-3)7-12(8)16/h6-7,16H,4-5H2,1-3H3 |
| InChIKey | NMVLSRSFBSZBEE-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8aR4bo9XzQD |
|---|---|
| Name | 2,4-Dipropionyl-5-methoxyphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-4-10(14)8-6-9(11(15)5-2)13(17-3)7-12(8)16/h6-7,16H,4-5H2,1-3H3 |
| InChIKey | NMVLSRSFBSZBEE-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | OC1=C(C=C(C(=C1)OC)C(CC)=O)C(CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.937306 |