| SpectraBase Compound ID | 42BpIElKxWr |
|---|---|
| InChI | InChI=1S/C33H64O3Si3/c1-13-14-15-16-23-33(2,3)28-20-22-30(32(25-28)36-39(10,11)12)31-26-29(35-38(7,8)9)21-19-27(31)18-17-24-34-37(4,5)6/h20,22,25,27,29,31H,13-19,21,23-24,26H2,1-12H3/t27-,29-,31?/m1/s1 |
| InChIKey | AGOIKXSOUBIFCG-FNYCYZIJSA-N |
| Mol Weight | 593.1 g/mol |
| Molecular Formula | C33H64O3Si3 |
| Exact Mass | 592.416326 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8G4BsCaFFMe |
|---|---|
| Name | CP-55,940 3TMS |
| Classification | Cyclohexylphenol cannabinoid designer drug |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 592.416325523 u |
| Formula | C33H64O3Si3 |
| InChI | InChI=1S/C33H64O3Si3/c1-13-14-15-16-23-33(2,3)28-20-22-30(32(25-28)36-39(10,11)12)31-26-29(35-38(7,8)9)21-19-27(31)18-17-24-34-37(4,5)6/h20,22,25,27,29,31H,13-19,21,23-24,26H2,1-12H3/t27-,29-,31?/m1/s1 |
| InChIKey | AGOIKXSOUBIFCG-FNYCYZIJSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 593.127 g/mol |
| Nominal Mass | 592 u |
| Quality | 957 |
| Retention Index | 2808 |
| SMILES | C=1(C2[C@@](CC[C@](C2)(O[Si](C)(C)C)[H])(CCCO[Si](C)(C)C)[H])C(O[Si](C)(C)C)=CC(C(CCCCCC)(C)C)=CC1 |
| SPLASH | splash10-00di-6595210000-27275e61ed74e5f6f3ce |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | trimethyl(3-((1R,2R,4R)-2-(4-(2-methyloctan-2-yl)-2-((trimethylsilyl)oxy)phenyl)-4-\r((trimethylsilyl)oxy)cyclohexyl)propoxy)silane |
| Technique | GC/MS |
| Wiley ID | DD2024_012184 |