SpectraBase Spectrum ID |
3gXiMQZvMSu |
Name |
3-Fluoro-6-trifluoromethylbenzamide, N-(3-chlorophenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
317.023054233 u |
Formula |
C14H8ClF4NO |
InChI |
InChI=1S/C14H8ClF4NO/c15-8-2-1-3-10(6-8)20-13(21)11-7-9(16)4-5-12(11)14(17,18)19/h1-7H,(H,20,21) |
InChIKey |
LTZGPILPJHKDQC-UHFFFAOYSA-N |
Molecular Weight |
317.671 g/mol |
SMILES |
C1=C(C=C(C=C1)NC(C1=C(C(F)(F)F)C=CC(=C1)F)=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836742 |