SpectraBase Spectrum ID |
Lnh57kM5MR8 |
Name |
Benzamide, 4-trifluoromethyl-N-(5-chloro-2-methoxyphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
329.043040785 u |
Formula |
C15H11ClF3NO2 |
InChI |
InChI=1S/C15H11ClF3NO2/c1-22-13-7-6-11(16)8-12(13)20-14(21)9-2-4-10(5-3-9)15(17,18)19/h2-8H,1H3,(H,20,21) |
InChIKey |
ZPAGXINVYZMDIS-UHFFFAOYSA-N |
Molecular Weight |
329.706 g/mol |
SMILES |
C1(=CC=C(C=C1)C(F)(F)F)C(NC1=CC(=CC=C1OC)Cl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922129 |