| SpectraBase Spectrum ID |
6zmLEHU9IcL |
| Name |
2,2'-Urea-N,N'-bis(ethyl 3,3,3-trifluorolactate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.070519770 u |
| Formula |
C11H14F6N2O7 |
| InChI |
InChI=1S/C11H14F6N2O7/c1-3-25-5(20)8(23,10(12,13)14)18-7(22)19-9(24,11(15,16)17)6(21)26-4-2/h23-24H,3-4H2,1-2H3,(H2,18,19,22) |
| InChIKey |
GGDWSLGIKROZFN-UHFFFAOYSA-N |
| Molecular Weight |
400.230 g/mol |
| SMILES |
C(OC(C(NC(=O)NC(C(OCC)=O)(C(F)(F)F)O)(C(F)(F)F)O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95185 |
