| SpectraBase Compound ID | Ehg7Ur870Zf |
|---|---|
| InChI | InChI=1S/C13H14O5/c1-8(14)6-11-4-5-12(17-9(2)15)13(7-11)18-10(3)16/h4-5,7H,6H2,1-3H3 |
| InChIKey | YLYBTPCMVVEYJZ-UHFFFAOYSA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C13H14O5 |
| Exact Mass | 250.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUJP0kFylV0 |
|---|---|
| Name | Diacetyl-3,4-dihydroxyphenyl-2-propanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.084123546 u |
| Formula | C13H14O5 |
| InChI | InChI=1S/C13H14O5/c1-8(14)6-11-4-5-12(17-9(2)15)13(7-11)18-10(3)16/h4-5,7H,6H2,1-3H3 |
| InChIKey | YLYBTPCMVVEYJZ-UHFFFAOYSA-N |
| Molecular Weight | 250.250 g/mol |
| SMILES | C1(=CC(=C(C=C1)OC(C)=O)OC(=O)C)CC(C)=O |