| SpectraBase Compound ID | CTDacQbokai |
|---|---|
| InChI | InChI=1S/C12H12O5/c1-6-4-7(13)10-8(17-6)5-9(15-2)12(16-3)11(10)14/h4-5,14H,1-3H3 |
| InChIKey | PJCFJNHVNWMRPD-UHFFFAOYSA-N |
| Mol Weight | 236.22 g/mol |
| Molecular Formula | C12H12O5 |
| Exact Mass | 236.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOYrLfDOdCo |
|---|---|
| Name | 5-Hydroxy-6,7-dimethoxy-2-methyl-4H-chromen-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.068473481 u |
| Formula | C12H12O5 |
| InChI | InChI=1S/C12H12O5/c1-6-4-7(13)10-8(17-6)5-9(15-2)12(16-3)11(10)14/h4-5,14H,1-3H3 |
| InChIKey | PJCFJNHVNWMRPD-UHFFFAOYSA-N |
| Molecular Weight | 236.223 g/mol |
| SMILES | C12=C(C(OC)=C(C=C2OC(C)=CC1=O)OC)O |