| SpectraBase Compound ID | 2PblTKDqIZS |
|---|---|
| InChI | InChI=1S/C15H16O4/c1-3-4-7-18-15(17)14-9-12(16)11-8-10(2)5-6-13(11)19-14/h5-6,8-9H,3-4,7H2,1-2H3 |
| InChIKey | SZOYDCWYZQHYQO-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 | 70zx7DbSfeV |
|---|---|
| Name | 6-Methyl-4-chromone-2-carboxylic acid, N-butyl 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/c1-3-4-7-18-15(17)14-9-12(16)11-8-10(2)5-6-13(11)19-14/h5-6,8-9H,3-4,7H2,1-2H3 |
| InChIKey | SZOYDCWYZQHYQO-UHFFFAOYSA-N |
| Molecular Weight | 260.289 g/mol |
| SMILES | C1=CC=2OC(C(OCCCC)=O)=CC(C2C=C1C)=O |