| SpectraBase Compound ID | FTeRDShXaXL |
|---|---|
| InChI | InChI=1S/C21H22O8/c1-23-11-7-8-12(13(9-11)24-2)18-21(28-6)17(22)16-14(29-18)10-15(25-3)19(26-4)20(16)27-5/h7-10H,1-6H3 |
| InChIKey | BNDRHZPDGSBZEN-UHFFFAOYSA-N |
| Mol Weight | 402.4 g/mol |
| Molecular Formula | C21H22O8 |
| Exact Mass | 402.131468 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KpWCfDzskf7 |
|---|---|
| Name | Chrysosplin, dimethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.131467660 u |
| Formula | C21H22O8 |
| InChI | InChI=1S/C21H22O8/c1-23-11-7-8-12(13(9-11)24-2)18-21(28-6)17(22)16-14(29-18)10-15(25-3)19(26-4)20(16)27-5/h7-10H,1-6H3 |
| InChIKey | BNDRHZPDGSBZEN-UHFFFAOYSA-N |
| Molecular Weight | 402.399 g/mol |
| SMILES | C1(=C(C(=O)C2=C(C(=C(C=C2O1)OC)OC)OC)OC)C1=C(C=C(C=C1)OC)OC |