| SpectraBase Compound ID | FM7tFNaDDbB |
|---|---|
| InChI | InChI=1S/C16H10O5/c17-14-10-3-1-2-4-11(10)21-16(15(14)18)9-5-6-12-13(7-9)20-8-19-12/h1-7,18H,8H2 |
| InChIKey | RQYDCAXLKOYPFU-UHFFFAOYSA-N |
| Mol Weight | 282.25 g/mol |
| Molecular Formula | C16H10O5 |
| Exact Mass | 282.052823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Y6sniuAanQ |
|---|---|
| Name | 3-Hydroxy-2-(3,4-methylenedioxyphenyl)-4H-chromen-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.052823417 u |
| Formula | C16H10O5 |
| InChI | InChI=1S/C16H10O5/c17-14-10-3-1-2-4-11(10)21-16(15(14)18)9-5-6-12-13(7-9)20-8-19-12/h1-7,18H,8H2 |
| InChIKey | RQYDCAXLKOYPFU-UHFFFAOYSA-N |
| Molecular Weight | 282.251 g/mol |
| SMILES | C12=C(OC(=C(C2=O)O)C2=CC3=C(OCO3)C=C2)C=CC=C1 |