SpectraBase Spectrum ID |
1hwNpy1Bucp |
Name |
3-Hydroxydiphenylamine, N,o-bis(chlorodifluoroacetyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
408.989561203 u |
Formula |
C16H9Cl2F4NO3 |
InChI |
InChI=1S/C16H9Cl2F4NO3/c17-15(19,20)13(24)23(10-5-2-1-3-6-10)11-7-4-8-12(9-11)26-14(25)16(18,21)22/h1-9H |
InChIKey |
PGEHKYTWVJJOTC-UHFFFAOYSA-N |
Molecular Weight |
410.152 g/mol |
SMILES |
C1=CC=C(C=C1OC(C(F)(F)Cl)=O)N(C1=CC=CC=C1)C(C(F)(F)Cl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849106 |