| SpectraBase Compound ID | 8beAwASHviV |
|---|---|
| InChI | InChI=1S/C13H16O5/c1-7(8(2)14)11(15)9-5-6-10(17-3)13(18-4)12(9)16/h5-7,16H,1-4H3 |
| InChIKey | FZHASGIJLWLTLX-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C13H16O5 |
| Exact Mass | 252.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1jpg5Gkvyfy |
|---|---|
| Name | 1-(2-Hydroxy-3,4-dimethoxyphenyl)-2-methylbutane-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/c1-7(8(2)14)11(15)9-5-6-10(17-3)13(18-4)12(9)16/h5-7,16H,1-4H3 |
| InChIKey | FZHASGIJLWLTLX-UHFFFAOYSA-N |
| Molecular Weight | 252.266 g/mol |
| SMILES | C(C(C(C)=O)C)(=O)C1=C(C(=C(C=C1)OC)OC)O |