SpectraBase Spectrum ID |
K2iRrzpe9Vz |
Name |
N-{2-[2,5-bis(2,2,2-Trifluoroethoxy)benzamido]ethyl}-p-anisamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
494.127640725 u |
Formula |
C21H20F6N2O5 |
InChI |
InChI=1S/C21H20F6N2O5/c1-32-14-4-2-13(3-5-14)18(30)28-8-9-29-19(31)16-10-15(33-11-20(22,23)24)6-7-17(16)34-12-21(25,26)27/h2-7,10H,8-9,11-12H2,1H3,(H,28,30)(H,29,31) |
InChIKey |
WOJNAPNWSVVSDL-UHFFFAOYSA-N |
Molecular Weight |
494.390 g/mol |
SMILES |
N(CCNC(C=1C=C(OCC(F)(F)F)C=CC1OCC(F)(F)F)=O)C(C=1C=CC(OC)=CC1)=O |
Spectrum/Structure Validation Score (Raman) |
0.97655 |