| SpectraBase Spectrum ID |
8JVWMlq5IjQ |
| Name |
Pseudoephedrine 2TFA |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
357.079962258 u |
| Formula |
C14H13F6NO3 |
| InChI |
InChI=1S/C14H13F6NO3/c1-8(21(2)11(22)13(15,16)17)10(9-6-4-3-5-7-9)24-12(23)14(18,19)20/h3-8,10H,1-2H3/t8-,10+/m0/s1 |
| InChIKey |
KMUFRRQXCALIPC-WCBMZHEXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
357.252 g/mol |
| Nominal Mass |
357 u |
| Quality |
1000 |
| Retention Index |
2565 |
| SMILES |
[C@]([C@@](N(C(C(F)(F)F)=O)C)(C)[H])(C1=CC=CC=C1)(OC(C(F)(F)F)=O)[H] |
| SPLASH |
splash10-0udi-2900000000-98ce579052b14dfc2a48 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S,2S)-2-(methyl(trifluoroacetyl)amino)-1-phenylpropyl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004532 |
![[(1S,2S)-2-[methyl-(2,2,2-trifluoroacetyl)amino]-1-phenyl-propyl] 2,2,2-trifluoroacetate](/api/spectrum/8JVWMlq5IjQ/structure.png?h=300&w=458 "[(1S,2S)-2-[methyl-(2,2,2-trifluoroacetyl)amino]-1-phenyl-propyl] 2,2,2-trifluoroacetate")
