| SpectraBase Compound ID | 80AGRfAKf3B |
|---|---|
| InChI | InChI=1S/C13H12O4/c1-9(7-14)8-16-11-4-2-10-3-5-13(15)17-12(10)6-11/h2-7,9H,8H2,1H3 |
| InChIKey | VUIBVLPWOYGDCA-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 | KAkdYeERYxz |
|---|---|
| Name | (R/S)-7-(2-Methyl-4-oxoprop-1-yloxy)-2H-benzopyran-2-one |
| 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/c1-9(7-14)8-16-11-4-2-10-3-5-13(15)17-12(10)6-11/h2-7,9H,8H2,1H3 |
| InChIKey | VUIBVLPWOYGDCA-UHFFFAOYSA-N |
| Molecular Weight | 232.235 g/mol |
| SMILES | C1=2OC(C=CC2C=CC(=C1)OCC(C=O)C)=O |