| SpectraBase Compound ID | 8K9VAxLLE9H |
|---|---|
| InChI | InChI=1S/C13H16O5/c1-8(14)5-10(15)13-11(17-3)6-9(16-2)7-12(13)18-4/h6-7H,5H2,1-4H3 |
| InChIKey | ZYRBXTNFHYZHSK-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C13H16O5 |
| Exact Mass | 252.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1yUOtk9iRuH |
|---|---|
| Name | 1-(2,4,6-Trimethoxyphenyl)butane-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.099773610 u |
| Formula | C13H16O5 |
| InChI | InChI=1S/C13H16O5/c1-8(14)5-10(15)13-11(17-3)6-9(16-2)7-12(13)18-4/h6-7H,5H2,1-4H3 |
| InChIKey | ZYRBXTNFHYZHSK-UHFFFAOYSA-N |
| Molecular Weight | 252.266 g/mol |
| SMILES | C=1(C(CC(=O)C)=O)C(=CC(=CC1OC)OC)OC |