| SpectraBase Spectrum ID |
JJHlfhSe4jg |
| Name |
Fenethylline TFA |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
437.167474074 u |
| Formula |
C20H22F3N5O3 |
| InChI |
InChI=1S/C20H22F3N5O3/c1-13(11-14-7-5-4-6-8-14)28(18(30)20(21,22)23)10-9-27-12-24-16-15(27)17(29)26(3)19(31)25(16)2/h4-8,12-13H,9-11H2,1-3H3 |
| InChIKey |
WJDMDSFALROWLK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
437.423 g/mol |
| Nominal Mass |
437 u |
| Quality |
984 |
| Retention Index |
3521 |
| SMILES |
C12=C(N(C(N(C2=O)C)=O)C)N=CN1CCN(C(C(F)(F)F)=O)C(CC=1C=CC=CC1)C |
| SPLASH |
splash10-0006-9411000000-54340c37ca466481e20d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Captagon TFA
Phenethylline TFA
N-(2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl)(trifluoro)-N-(1-phenylpropan-2-yl)acetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013023 |
