| SpectraBase Compound ID | G9Nr5oFRB0G |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-14(2)6-5-7-15(3)8-9-17-12-18-10-11-21(23)25-20(18)13-19(17)24-16(4)22/h6,8,10-13H,5,7,9H2,1-4H3/b15-8+ |
| InChIKey | PZEVSKRPDWVAIP-OVCLIPMQSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C21H24O4 |
| Exact Mass | 340.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Un9lo9tqNE |
|---|---|
| Name | Ostruthin, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.167459249 u |
| Formula | C21H24O4 |
| InChI | InChI=1S/C21H24O4/c1-14(2)6-5-7-15(3)8-9-17-12-18-10-11-21(23)25-20(18)13-19(17)24-16(4)22/h6,8,10-13H,5,7,9H2,1-4H3/b15-8+ |
| InChIKey | PZEVSKRPDWVAIP-OVCLIPMQSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | CC(=O)OC=1C(C\C=C\(CCC=C(C)C)C)=CC2=C(OC(C=C2)=O)C1 |