| SpectraBase Spectrum ID |
FAcj5EQXtfR |
| Name |
4-(Trifluoromethyl)benzylamine, N,N-bis-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.025481902 u |
| Formula |
C12H6F9NO2 |
| InChI |
InChI=1S/C12H6F9NO2/c13-10(14,15)7-3-1-6(2-4-7)5-22(8(23)11(16,17)18)9(24)12(19,20)21/h1-4H,5H2 |
| InChIKey |
NPRFVOOKNNHEGN-UHFFFAOYSA-N |
| Molecular Weight |
367.171 g/mol |
| SMILES |
C1=C(C=CC(=C1)CN(C(C(F)(F)F)=O)C(=O)C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890143 |
