| SpectraBase Compound ID | IxwHAKV8OZo |
|---|---|
| InChI | InChI=1S/C21H30O2/c1-5-6-7-8-13-11-15(22)17-16(12-13)23-21(4)10-9-14-18(21)19(17)20(14,2)3/h11-12,14,18-19,22H,5-10H2,1-4H3/t14?,18-,19-,21-/m1/s1 |
| InChIKey | IGHTZQUIFGUJTG-BKFVKPSZSA-N |
| Mol Weight | 314.47 g/mol |
| Molecular Formula | C21H30O2 |
| Exact Mass | 314.22458 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CdZ9MBCJqyN |
|---|---|
| Name | Cannabicyclol in kbr |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.224580204 u |
| Formula | C21H30O2 |
| InChI | InChI=1S/C21H30O2/c1-5-6-7-8-13-11-15(22)17-16(12-13)23-21(4)10-9-14-18(21)19(17)20(14,2)3/h11-12,14,18-19,22H,5-10H2,1-4H3/t14?,18-,19-,21-/m1/s1 |
| InChIKey | IGHTZQUIFGUJTG-BKFVKPSZSA-N |
| SMILES | OC1=C2C(O[C@]3([C@@]4(C(CC3)C([C@]24[H])(C)C)[H])C)=CC(=C1)CCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.85279 |