| SpectraBase Compound ID | B46k1SA1VY |
|---|---|
| InChI | InChI=1S/C20H20O4/c1-20(2,23)18-12-15-17(24-18)11-9-14(19(15)22)16(21)10-8-13-6-4-3-5-7-13/h3-11,18,22-23H,12H2,1-2H3/b10-8+ |
| InChIKey | VQIOSZCXCDBKPH-CSKARUKUSA-N |
| Mol Weight | 324.38 g/mol |
| Molecular Formula | C20H20O4 |
| Exact Mass | 324.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3X0N6TgIafW |
|---|---|
| Name | Flemistrictin B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.136159120 u |
| Formula | C20H20O4 |
| InChI | InChI=1S/C20H20O4/c1-20(2,23)18-12-15-17(24-18)11-9-14(19(15)22)16(21)10-8-13-6-4-3-5-7-13/h3-11,18,22-23H,12H2,1-2H3/b10-8+ |
| InChIKey | VQIOSZCXCDBKPH-CSKARUKUSA-N |
| Molecular Weight | 324.376 g/mol |
| SMILES | C1=2C(=C(C(\C=C\C=3C=CC=CC3)=O)C=CC2OC(C1)C(O)(C)C)O |