| SpectraBase Compound ID | JITzN8LfLPE |
|---|---|
| InChI | InChI=1S/C14H14O6/c1-7-4-10-5-11(19-8(2)15)6-12(20-9(3)16)13(10)14(17)18-7/h5-7H,4H2,1-3H3 |
| InChIKey | HHDVKOJAIZBJPI-UHFFFAOYSA-N |
| Mol Weight | 278.26 g/mol |
| Molecular Formula | C14H14O6 |
| Exact Mass | 278.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DzXb4zVjAI4 |
|---|---|
| Name | 6-Hydroxy-mellein - diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.079038165 u |
| Formula | C14H14O6 |
| InChI | InChI=1S/C14H14O6/c1-7-4-10-5-11(19-8(2)15)6-12(20-9(3)16)13(10)14(17)18-7/h5-7H,4H2,1-3H3 |
| InChIKey | HHDVKOJAIZBJPI-UHFFFAOYSA-N |
| SMILES | C1(C2=C(C=C(C=C2CC(O1)C)OC(=O)C)OC(=O)C)=O |