| SpectraBase Compound ID | 6gymKSGMZ1B |
|---|---|
| InChI | InChI=1S/C13H10O5/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,14-17H |
| InChIKey | XZXMWAHILBWKBI-UHFFFAOYSA-N |
| Mol Weight | 246.22 g/mol |
| Molecular Formula | C13H10O5 |
| Exact Mass | 246.052823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QAtRe6gmV2 |
|---|---|
| Name | Methanone, bis(3,4-dihydroxyphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.052823417 u |
| Formula | C13H10O5 |
| InChI | InChI=1S/C13H10O5/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,14-17H |
| InChIKey | XZXMWAHILBWKBI-UHFFFAOYSA-N |
| Molecular Weight | 246.218 g/mol |
| SMILES | C1(O)=CC=C(C=C1O)C(=O)C1=CC=C(O)C(O)=C1 |