| SpectraBase Compound ID | FkK2we1JngQ |
|---|---|
| InChI | InChI=1S/C23H25F3O3/c1-5-6-7-8-15-12-18(28-21(27)23(24,25)26)20-16-11-14(2)9-10-17(16)22(3,4)29-19(20)13-15/h9-13H,5-8H2,1-4H3 |
| InChIKey | JPFWCOXQOMQJPC-UHFFFAOYSA-N |
| Mol Weight | 406.45 g/mol |
| Molecular Formula | C23H25F3O3 |
| Exact Mass | 406.175579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1NzVf1kDBhl |
|---|---|
| Name | Cannabinol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.175579151 u |
| Formula | C23H25F3O3 |
| InChI | InChI=1S/C23H25F3O3/c1-5-6-7-8-15-12-18(28-21(27)23(24,25)26)20-16-11-14(2)9-10-17(16)22(3,4)29-19(20)13-15/h9-13H,5-8H2,1-4H3 |
| InChIKey | JPFWCOXQOMQJPC-UHFFFAOYSA-N |
| Molecular Weight | 406.445 g/mol |
| SMILES | C=12C3=C(C=CC(=C3)C)C(OC1C=C(C=C2OC(C(F)(F)F)=O)CCCCC)(C)C |