| SpectraBase Spectrum ID |
5WvuHpxtZZY |
| Name |
CP-55,940 2AC II |
| Classification |
Cyclohexylphenol cannabinoid designer drug |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
460.318874512 u |
| Formula |
C28H44O5 |
| InChI |
InChI=1S/C28H44O5/c1-6-7-8-9-16-28(4,5)23-13-15-25(27(18-23)33-21(3)30)26-19-24(31)14-12-22(26)11-10-17-32-20(2)29/h13,15,18,22,24,26,31H,6-12,14,16-17,19H2,1-5H3/t22-,24-,26?/m1/s1 |
| InChIKey |
SXAZYHBNRVZCLQ-DXCPIXMJSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
460.655 g/mol |
| Nominal Mass |
460 u |
| Quality |
975 |
| Retention Index |
3155 |
| SMILES |
O[C@]1(CC(C=2C(=CC(C(CCCCCC)(C)C)=CC2)OC(=O)C)[C@@](CC1)(CCCOC(=O)C)[H])[H] |
| SPLASH |
splash10-0c04-4961000000-17dc8de9b7c7ee346742 |
| Sample Comments |
Acetyl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-((1R,2R,4R)-2-(2-(acetyloxy)-4-(2-methyloctan-2-yl)phenyl)-4-hydroxycyclohexyl)propyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012195 |
