| SpectraBase Compound ID | FHjTz9z8B5e |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-13(4-6-16-7-8-17(23)11-20(16)24)5-9-18-14(2)10-21(25)19(12-22)15(18)3/h4,7-8,10-12,23-25H,5-6,9H2,1-3H3/b13-4+ |
| InChIKey | JCVYGNJMHHQBNS-YIXHJXPBSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C21H24O4 |
| Exact Mass | 340.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6dsYR2pacBT |
|---|---|
| Name | Panicein-B3 |
| 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/c1-13(4-6-16-7-8-17(23)11-20(16)24)5-9-18-14(2)10-21(25)19(12-22)15(18)3/h4,7-8,10-12,23-25H,5-6,9H2,1-3H3/b13-4+ |
| InChIKey | JCVYGNJMHHQBNS-YIXHJXPBSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C=1(C(=C(CC\C(=C\CC=2C(=CC(=CC2)O)O)C)C(=CC1O)C)C)C=O |