| SpectraBase Compound ID | Ayq2aX4plrk |
|---|---|
| InChI | InChI=1S/C13H12O4/c1-3-4-16-9-6-11(15)13-10(14)5-8(2)17-12(13)7-9/h3,5-7,15H,1,4H2,2H3 |
| InChIKey | GURQIFKECNQBNG-UHFFFAOYSA-N |
| Mol Weight | 232.23 g/mol |
| Molecular Formula | C13H12O4 |
| Exact Mass | 232.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BY2awOYcEic |
|---|---|
| Name | 4H-1-Benzopyran-4-one, 5-hydroxy-2-methyl-7-(2-propenyloxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.073558862 u |
| Formula | C13H12O4 |
| InChI | InChI=1S/C13H12O4/c1-3-4-16-9-6-11(15)13-10(14)5-8(2)17-12(13)7-9/h3,5-7,15H,1,4H2,2H3 |
| InChIKey | GURQIFKECNQBNG-UHFFFAOYSA-N |
| Molecular Weight | 232.235 g/mol |
| SMILES | C1(O)=C2C(=CC(=C1)OCC=C)OC(=CC2=O)C |