| SpectraBase Compound ID | E8buftS1zGu |
|---|---|
| InChI | InChI=1S/C20H26O2/c1-6-20(5,14-7-8-16(2)3)15-13-18-9-11-19(12-10-18)22-17(4)21/h6,8-13,15H,1,7,14H2,2-5H3/b15-13+ |
| InChIKey | KLWKVZWSRSGVHJ-FYWRMAATSA-N |
| Mol Weight | 298.43 g/mol |
| Molecular Formula | C20H26O2 |
| Exact Mass | 298.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Nw3UYDBpUm |
|---|---|
| Name | (+)-bakuchiol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.193280075 u |
| Formula | C20H26O2 |
| InChI | InChI=1S/C20H26O2/c1-6-20(5,14-7-8-16(2)3)15-13-18-9-11-19(12-10-18)22-17(4)21/h6,8-13,15H,1,7,14H2,2-5H3/b15-13+ |
| InChIKey | KLWKVZWSRSGVHJ-FYWRMAATSA-N |
| SMILES | C(\C=C\C1=CC=C(C=C1)OC(C)=O)(CCC=C(C)C)(C=C)C |