| SpectraBase Compound ID | ahW1g1YoYS |
|---|---|
| InChI | InChI=1S/C16H12O4/c17-16-12-4-2-1-3-11(12)15(20-16)10-5-6-13-14(9-10)19-8-7-18-13/h1-6,9,15H,7-8H2 |
| InChIKey | MNGNVALCWSCFGL-UHFFFAOYSA-N |
| Mol Weight | 268.27 g/mol |
| Molecular Formula | C16H12O4 |
| Exact Mass | 268.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Z7pF9PiFAs |
|---|---|
| Name | 3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3H-2-benzofuran-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.073558862 u |
| Formula | C16H12O4 |
| InChI | InChI=1S/C16H12O4/c17-16-12-4-2-1-3-11(12)15(20-16)10-5-6-13-14(9-10)19-8-7-18-13/h1-6,9,15H,7-8H2 |
| InChIKey | MNGNVALCWSCFGL-UHFFFAOYSA-N |
| SMILES | C12=C(OCCO2)C=CC(=C1)C1OC(C=2C1=CC=CC2)=O |