| SpectraBase Compound ID | 6H4FgMRNuzs |
|---|---|
| InChI | InChI=1S/C20H23F3O2/c1-5-19(4,13-6-7-15(2)3)14-12-16-8-10-17(11-9-16)25-18(24)20(21,22)23/h5,7-12,14H,1,6,13H2,2-4H3/b14-12+ |
| InChIKey | KIJCOYNTKMEPNN-WYMLVPIESA-N |
| Mol Weight | 352.4 g/mol |
| Molecular Formula | C20H23F3O2 |
| Exact Mass | 352.165014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FA96TvbcCG2 |
|---|---|
| Name | (+)-bakuchiol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.165014468 u |
| Formula | C20H23F3O2 |
| InChI | InChI=1S/C20H23F3O2/c1-5-19(4,13-6-7-15(2)3)14-12-16-8-10-17(11-9-16)25-18(24)20(21,22)23/h5,7-12,14H,1,6,13H2,2-4H3/b14-12+ |
| InChIKey | KIJCOYNTKMEPNN-WYMLVPIESA-N |
| Molecular Weight | 352.397 g/mol |
| SMILES | C(\C=C\C1=CC=C(C=C1)OC(C(F)(F)F)=O)(CCC=C(C)C)(C=C)C |