| SpectraBase Compound ID | 7fdD8qgjxUz |
|---|---|
| InChI | InChI=1S/C16H12O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-6,12,17H,7-8H2 |
| InChIKey | UGMTXSZTANLUES-UHFFFAOYSA-N |
| Mol Weight | 284.27 g/mol |
| Molecular Formula | C16H12O5 |
| Exact Mass | 284.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G2Z1dGDDBUq |
|---|---|
| Name | 7-Hydroxy-3-(3,4-methylenedioxyphenyl)-4-chromanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.068473481 u |
| Formula | C16H12O5 |
| InChI | InChI=1S/C16H12O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-6,12,17H,7-8H2 |
| InChIKey | UGMTXSZTANLUES-UHFFFAOYSA-N |
| SMILES | C12=C(C=C(C=C2)O)OCC(C1=O)C1=CC2=C(C=C1)OCO2 |