| SpectraBase Spectrum ID |
GWclMT1F3fE |
| Name |
Clenbuterol-A (-H2O) HFB |
| Classification |
Pharmaceutical drug artifact derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
454.044965651 u |
| Formula |
C16H15Cl2F7N2O |
| InChI |
InChI=1S/C16H15Cl2F7N2O/c1-13(2,3)26-5-4-8-6-9(17)11(10(18)7-8)27-12(28)14(19,20)15(21,22)16(23,24)25/h4-7,26H,1-3H3,(H,27,28)/b5-4- |
| InChIKey |
HCXBZZWSBTUXSD-PLNGDYQASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
455.204 g/mol |
| Nominal Mass |
454 u |
| Quality |
975 |
| Retention Index |
1967 |
| SMILES |
C(C(C(F)(F)F)(F)F)(C(NC=1C(=CC(=CC1Cl)\C=C/NC(C)(C)C)Cl)=O)(F)F |
| SPLASH |
splash10-0a4l-9201000000-e348bc437b0c3de1ecb1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(4-((Z)-2-(tert-butylamino)ethenyl)-2,6-dichlorophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011124 |
