| SpectraBase Spectrum ID |
5Q5askKynM0 |
| Name |
N,N'-bis(4-Chloro-2,3,5,6-tetrafluoro-phenyl)-1,2-diphenyl-ethane-1,2-diamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
576.040629163 u |
| Formula |
C26H14Cl2F8N2 |
| InChI |
InChI=1S/C26H14Cl2F8N2/c27-13-15(29)19(33)25(20(34)16(13)30)37-23(11-7-3-1-4-8-11)24(12-9-5-2-6-10-12)38-26-21(35)17(31)14(28)18(32)22(26)36/h1-10,23-24,37-38H |
| InChIKey |
HNFPTXHGRXXIBW-UHFFFAOYSA-N |
| Molecular Weight |
577.305 g/mol |
| SMILES |
C1(=C(C(F)=C(C(=C1F)F)Cl)F)NC(C(NC=1C(=C(F)C(=C(C1F)F)Cl)F)C=1C=CC=CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917841 |