SpectraBase Spectrum ID |
LErG0ruF6n4 |
Name |
4-Fluoroaniline, N,N-bis(pentafluoropropionyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
403.006638164 u |
Formula |
C12H4F11NO2 |
InChI |
InChI=1S/C12H4F11NO2/c13-5-1-3-6(4-2-5)24(7(25)9(14,15)11(18,19)20)8(26)10(16,17)12(21,22)23/h1-4H |
InChIKey |
BBKRONNCKNFRGG-UHFFFAOYSA-N |
Molecular Weight |
403.151 g/mol |
SMILES |
C1=CC(=CC=C1N(C(=O)C(C(F)(F)F)(F)F)C(=O)C(C(F)(F)F)(F)F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944639 |