| SpectraBase Spectrum ID |
JGObQ8rhAWW |
| Name |
Triethanolamine 3TFA |
| CAS Registry Number |
827342-69-8 |
| Classification |
Chemical warfare precursor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
437.052090571 u |
| Formula |
C12H12F9NO6 |
| InChI |
InChI=1S/C12H12F9NO6/c13-10(14,15)7(23)26-4-1-22(2-5-27-8(24)11(16,17)18)3-6-28-9(25)12(19,20)21/h1-6H2 |
| InChIKey |
JRKLOANAMREFAQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
437.215 g/mol |
| Nominal Mass |
437 u |
| Quality |
994 |
| Retention Index |
1298 |
| SMILES |
C(C(F)(F)F)(OCCN(CCOC(C(F)(F)F)=O)CCOC(C(F)(F)F)=O)=O |
| SPLASH |
splash10-0006-9402000000-5d2eb3b7d0774cec6773 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Triethylolamine 3TFA
Trolamine 3TFA
N,N,N-Tris(2-trifluoroacetoxyethyl)amine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_029957 |
