| SpectraBase Compound ID | DiImsQo6b0N |
|---|---|
| InChI | InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16-18(20(14)26-4)19(23)17(21(24)27-16)12-5-7-13(25-3)8-6-12/h5-11,23H,1-4H3 |
| InChIKey | MBZKDBQDALOSRP-UHFFFAOYSA-N |
| Mol Weight | 380.4 g/mol |
| Molecular Formula | C22H20O6 |
| Exact Mass | 380.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3vlFmcEuJH7 |
|---|---|
| Name | Robustic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.125988358 u |
| Formula | C22H20O6 |
| InChI | InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16-18(20(14)26-4)19(23)17(21(24)27-16)12-5-7-13(25-3)8-6-12/h5-11,23H,1-4H3 |
| InChIKey | MBZKDBQDALOSRP-UHFFFAOYSA-N |
| Molecular Weight | 380.396 g/mol |
| SMILES | COC1=C2C(=CC3=C1C=CC(O3)(C)C)OC(C(=C2O)C1=CC=C(C=C1)OC)=O |