| SpectraBase Compound ID | 8jvxP1W1YK9 |
|---|---|
| InChI | InChI=1S/C30H37F9O6/c1-4-5-6-7-14-27(2,3)19-11-13-21(23(16-19)45-26(42)30(37,38)39)22-17-20(44-25(41)29(34,35)36)12-10-18(22)9-8-15-43-24(40)28(31,32)33/h11,13,16,18,20,22H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22?/m1/s1 |
| InChIKey | IUHGPTPKFUVUEQ-CJHNXZANSA-N |
| Mol Weight | 664.6 g/mol |
| Molecular Formula | C30H37F9O6 |
| Exact Mass | 664.244642 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Dm8qc27l3mS |
|---|---|
| Name | CP-55,940 3TFA |
| Classification | Cyclohexylphenol cannabinoid designer drug |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 664.244642372 u |
| Formula | C30H37F9O6 |
| InChI | InChI=1S/C30H37F9O6/c1-4-5-6-7-14-27(2,3)19-11-13-21(23(16-19)45-26(42)30(37,38)39)22-17-20(44-25(41)29(34,35)36)12-10-18(22)9-8-15-43-24(40)28(31,32)33/h11,13,16,18,20,22H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22?/m1/s1 |
| InChIKey | IUHGPTPKFUVUEQ-CJHNXZANSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 664.606 g/mol |
| Nominal Mass | 664 u |
| Quality | 987 |
| Retention Index | 2403 |
| SMILES | C=1(C2[C@@](CC[C@](C2)(OC(C(F)(F)F)=O)[H])(CCCOC(C(F)(F)F)=O)[H])C(=CC(C(CCCCCC)(C)C)=CC1)OC(C(F)(F)F)=O |
| SPLASH | splash10-004l-6593150000-0dce1fdbca96701a90c9 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 3-((1R,2R,4R)-2-(4-(2-methyloctan-2-yl)-2-((trifluoroacetyl)oxy)phenyl)-4-((trifluoroacetyl)oxy)\rcyclohexyl)propyl trifluoroacetate |
| Technique | GC/MS |
| Wiley ID | DD2024_012188 |