| SpectraBase Compound ID | 7C7WHAv00fg |
|---|---|
| InChI | InChI=1S/C14H12O5/c1-7(15)13-8(2)18-12-6-10(19-9(3)16)4-5-11(12)14(13)17/h4-6H,1-3H3 |
| InChIKey | PHLULDGPJDZDGA-UHFFFAOYSA-N |
| Mol Weight | 260.24 g/mol |
| Molecular Formula | C14H12O5 |
| Exact Mass | 260.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSjxa8ZsnTA |
|---|---|
| Name | 3-Acetyl-7-hydroxy-2-methylchromone, acetate (ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.068473481 u |
| Formula | C14H12O5 |
| InChI | InChI=1S/C14H12O5/c1-7(15)13-8(2)18-12-6-10(19-9(3)16)4-5-11(12)14(13)17/h4-6H,1-3H3 |
| InChIKey | PHLULDGPJDZDGA-UHFFFAOYSA-N |
| Molecular Weight | 260.245 g/mol |
| SMILES | C=12C=CC(=CC1OC(=C(C2=O)C(C)=O)C)OC(C)=O |