| SpectraBase Spectrum ID |
JHJBfcf29aC |
| Name |
2-(bis(Trifluoroacetyl)amino)phenyl trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.999661076 u |
| Formula |
C12H4F9NO4 |
| InChI |
InChI=1S/C12H4F9NO4/c13-10(14,15)7(23)22(8(24)11(16,17)18)5-3-1-2-4-6(5)26-9(25)12(19,20)21/h1-4H |
| InChIKey |
AKOGAMFZGCLQDM-UHFFFAOYSA-N |
| Molecular Weight |
397.153 g/mol |
| SMILES |
C1(=CC=CC=C1N(C(=O)C(F)(F)F)C(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93365 |
