SpectraBase Spectrum ID |
2z0uBwodNAi |
Name |
2-[2,2,3,3,3-Pentafluoro-1-(3-phenoxy-phenylamino)-propylidene]-malononitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
379.074402768 u |
Formula |
C18H10F5N3O |
InChI |
InChI=1S/C18H10F5N3O/c19-17(20,18(21,22)23)16(12(10-24)11-25)26-13-5-4-8-15(9-13)27-14-6-2-1-3-7-14/h1-9,26H |
InChIKey |
AHFSYCSVYIDPED-UHFFFAOYSA-N |
Molecular Weight |
379.290 g/mol |
SMILES |
C(C(=C(C#N)C#N)NC1=CC(OC2=CC=CC=C2)=CC=C1)(C(F)(F)F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910762 |