SpectraBase Spectrum ID |
HT8RgHxy9tX |
Name |
N,N'-[Methylenebis(2-chloro-4,1-phenylene)]bis(2,2,3,3,4,4,4-heptafluorobutanamide) |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
657.989577250 u |
Formula |
C21H10Cl2F14N2O2 |
InChI |
InChI=1S/C21H10Cl2F14N2O2/c22-10-6-8(1-3-12(10)38-14(40)16(24,25)18(28,29)20(32,33)34)5-9-2-4-13(11(23)7-9)39-15(41)17(26,27)19(30,31)21(35,36)37/h1-4,6-7H,5H2,(H,38,40)(H,39,41) |
InChIKey |
FTWLUZZOWSUZJK-UHFFFAOYSA-N |
Molecular Weight |
659.207 g/mol |
SMILES |
C1(=C(C=CC(=C1)CC1=CC(Cl)=C(C=C1)NC(C(F)(C(F)(C(F)(F)F)F)F)=O)NC(C(F)(C(F)(C(F)(F)F)F)F)=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879879 |