| SpectraBase Spectrum ID |
B0q3bQVJ9fM |
| Name |
CP-55,940 AC |
| Classification |
Cyclohexylphenol cannabinoid designer drug |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
418.308309828 u |
| Formula |
C26H42O4 |
| InChI |
InChI=1S/C26H42O4/c1-5-6-7-8-15-26(3,4)21-12-14-23(25(17-21)30-19(2)28)24-18-22(29)13-11-20(24)10-9-16-27/h12,14,17,20,22,24,27,29H,5-11,13,15-16,18H2,1-4H3/t20-,22-,24?/m1/s1 |
| InChIKey |
VDCDGDLQNQDYHM-FKHRANHKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
418.618 g/mol |
| Nominal Mass |
418 u |
| Quality |
990 |
| Retention Index |
2881 |
| SMILES |
O[C@]1(CC([C@](CCCO)(CC1)[H])C=1C(=CC(C(CCCCCC)(C)C)=CC1)OC(=O)C)[H] |
| SPLASH |
splash10-022a-4962000000-68082aff7bf80d00c15e |
| Sample Comments |
Acetyl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012192 |
