| SpectraBase Spectrum ID |
2pNLHyPCh7o |
| Name |
Dopamine 3TFA |
| Classification |
Neurotransmitter derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
441.025875824 u |
| Formula |
C14H8F9NO5 |
| InChI |
InChI=1S/C14H8F9NO5/c15-12(16,17)9(25)24-4-3-6-1-2-7(28-10(26)13(18,19)20)8(5-6)29-11(27)14(21,22)23/h1-2,5H,3-4H2,(H,24,25) |
| InChIKey |
ROWYZKLUWDEHTH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
441.206 g/mol |
| Nominal Mass |
441 u |
| Quality |
968 |
| Retention Index |
1562 |
| SMILES |
C=1(C(=CC(=CC1)CCNC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| SPLASH |
splash10-004i-7649000000-6316e8b45d87028b4c30 |
| Sample Comments |
TFA position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(2-((trifluoroacetyl)amino)ethyl)-2-((trifluoroacetyl)oxy)phenyl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006602 |
![1,2-Di(trifluoro-acetoxy)-4-[2-(trifluoroacetylamino)-ethyl]-benzene](/api/spectrum/2pNLHyPCh7o/structure.png?h=300&w=458 "1,2-Di(trifluoro-acetoxy)-4-[2-(trifluoroacetylamino)-ethyl]-benzene")
