SpectraBase Spectrum ID |
DDwtILyT3Lo |
Name |
Hexanediamide, N,N'-diphenyl-3,4-bis(trifluoromethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
432.127246804 u |
Formula |
C20H18F6N2O2 |
InChI |
InChI=1S/C20H18F6N2O2/c21-19(22,23)15(11-17(29)27-13-7-3-1-4-8-13)16(20(24,25)26)12-18(30)28-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,27,29)(H,28,30) |
InChIKey |
AYHLMJYKROVDFB-UHFFFAOYSA-N |
Molecular Weight |
432.366 g/mol |
SMILES |
C(F)(F)(F)C(C(CC(NC1=CC=CC=C1)=O)C(F)(F)F)CC(=O)NC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832061 |