| SpectraBase Compound ID | AQdlEapiWUx |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-6(7(2)12)9-4-8(13)5-10(15-3)11(9)14/h4-6H,1-3H3 |
| InChIKey | RYIGSNBSBGKNIH-UHFFFAOYSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D7UXOrg2U4a |
|---|---|
| Name | (+)-malbranicin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-6(7(2)12)9-4-8(13)5-10(15-3)11(9)14/h4-6H,1-3H3 |
| InChIKey | RYIGSNBSBGKNIH-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C=1(C(C(OC)=CC(C1)=O)=O)C(C(=O)C)C |