| SpectraBase Compound ID | 2qGlshhED8i |
|---|---|
| InChI | InChI=1S/C28H38F6O5/c1-4-5-6-7-14-26(2,3)19-11-13-21(23(35)16-19)22-17-20(39-25(37)28(32,33)34)12-10-18(22)9-8-15-38-24(36)27(29,30)31/h11,13,16,18,20,22,35H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22?/m1/s1 |
| InChIKey | GOEKSDSJQRORGI-CJHNXZANSA-N |
| Mol Weight | 568.6 g/mol |
| Molecular Formula | C28H38F6O5 |
| Exact Mass | 568.262343 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 19Pq3xSSe82 |
|---|---|
| Name | CP-55,940 2TFA |
| Classification | Cyclohexylphenol cannabinoid designer drug |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 568.262343297 u |
| Formula | C28H38F6O5 |
| InChI | InChI=1S/C28H38F6O5/c1-4-5-6-7-14-26(2,3)19-11-13-21(23(35)16-19)22-17-20(39-25(37)28(32,33)34)12-10-18(22)9-8-15-38-24(36)27(29,30)31/h11,13,16,18,20,22,35H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22?/m1/s1 |
| InChIKey | GOEKSDSJQRORGI-CJHNXZANSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 568.597 g/mol |
| Nominal Mass | 568 u |
| Quality | 990 |
| Retention Index | 2725 |
| SMILES | OC=1C(C2[C@@](CC[C@](C2)(OC(C(F)(F)F)=O)[H])(CCCOC(C(F)(F)F)=O)[H])=CC=C(C(CCCCCC)(C)C)C1 |
| SPLASH | splash10-001j-4911200000-01ed0b1f41f3a9f0ac72 |
| Sample Comments | TFA position uncertain |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 3-((1R,2R,4R)-2-(2-hydroxy-4-(2-methyloctan-2-yl)phenyl)-4-((trifluoroacetyl)oxy)cyclohexyl)\rpropyl trifluoroacetate |
| Technique | GC/MS |
| Wiley ID | DD2024_012186 |