| SpectraBase Compound ID | 2aJDIZmbvHU |
|---|---|
| InChI | InChI=1S/C15H16O4/c1-9(2)8-18-15(17)14-7-12(16)11-6-10(3)4-5-13(11)19-14/h4-7,9H,8H2,1-3H3 |
| InChIKey | QBVIOACFSVULJM-UHFFFAOYSA-N |
| Mol Weight | 260.29 g/mol |
| Molecular Formula | C15H16O4 |
| Exact Mass | 260.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 125dUjyYu8r |
|---|---|
| Name | 6-Methylchromone-2-carboxylic acid, 2-methylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.104858991 u |
| Formula | C15H16O4 |
| InChI | InChI=1S/C15H16O4/c1-9(2)8-18-15(17)14-7-12(16)11-6-10(3)4-5-13(11)19-14/h4-7,9H,8H2,1-3H3 |
| InChIKey | QBVIOACFSVULJM-UHFFFAOYSA-N |
| Molecular Weight | 260.289 g/mol |
| SMILES | C1=CC=2OC(C(OCC(C)C)=O)=CC(C2C=C1C)=O |