SpectraBase Spectrum ID |
LQOhm42AdAJ |
Name |
N-(4-Iodophenyl)-4-(trifluoromethyl)benzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
390.968093402 u |
Formula |
C14H9F3INO |
InChI |
InChI=1S/C14H9F3INO/c15-14(16,17)10-3-1-9(2-4-10)13(20)19-12-7-5-11(18)6-8-12/h1-8H,(H,19,20) |
InChIKey |
VTVLWVLMDYRPGZ-UHFFFAOYSA-N |
Molecular Weight |
391.132 g/mol |
SMILES |
C(C1=CC=C(C=C1)C(F)(F)F)(=O)NC1=CC=C(C=C1)I |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937331 |