| SpectraBase Compound ID | C6y4HLmcNuX |
|---|---|
| InChI | InChI=1S/C21H18O8/c1-11(22)27-18-10-17-19(21(20(18)26-4)28-12(2)23)15(24)9-16(29-17)13-5-7-14(25-3)8-6-13/h5-10H,1-4H3 |
| InChIKey | GSYWNORCKBQCIW-UHFFFAOYSA-N |
| Mol Weight | 398.37 g/mol |
| Molecular Formula | C21H18O8 |
| Exact Mass | 398.100168 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyLPuXC3FA9 |
|---|---|
| Name | Pectolinarigenin, diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.100167532 u |
| Formula | C21H18O8 |
| InChI | InChI=1S/C21H18O8/c1-11(22)27-18-10-17-19(21(20(18)26-4)28-12(2)23)15(24)9-16(29-17)13-5-7-14(25-3)8-6-13/h5-10H,1-4H3 |
| InChIKey | GSYWNORCKBQCIW-UHFFFAOYSA-N |
| Molecular Weight | 398.367 g/mol |
| SMILES | C1(OC(C)=O)=C2C(OC(=CC2=O)C2=CC=C(C=C2)OC)=CC(=C1OC)OC(C)=O |