| SpectraBase Compound ID | Der27FwnLs3 |
|---|---|
| InChI | InChI=1S/C25H34O4/c1-7-8-9-10-20-14-23(28-18(5)26)25(24(15-20)29-19(6)27)22-13-17(4)11-12-21(22)16(2)3/h13-15,21-22H,2,7-12H2,1,3-6H3 |
| InChIKey | UCYSPYOYJNVCAI-UHFFFAOYSA-N |
| Mol Weight | 398.5 g/mol |
| Molecular Formula | C25H34O4 |
| Exact Mass | 398.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDXFSLRbvY2 |
|---|---|
| Name | Cannabidiol 2ac P1439 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.245709571 u |
| Formula | C25H34O4 |
| InChI | InChI=1S/C25H34O4/c1-7-8-9-10-20-14-23(28-18(5)26)25(24(15-20)29-19(6)27)22-13-17(4)11-12-21(22)16(2)3/h13-15,21-22H,2,7-12H2,1,3-6H3 |
| InChIKey | UCYSPYOYJNVCAI-UHFFFAOYSA-N |
| Molecular Weight | 398.543 g/mol |
| SMILES | C=1(C(OC(=O)C)=CC(=CC1OC(C)=O)CCCCC)C1C(CCC(=C1)C)C(C)=C |