SpectraBase Spectrum ID |
BA5T2LReL1U |
Name |
Benzamide, N-(2-iodo-4-methylphenyl)-2-fluoro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
354.986937140 u |
Formula |
C14H11FINO |
InChI |
InChI=1S/C14H11FINO/c1-9-6-7-13(12(16)8-9)17-14(18)10-4-2-3-5-11(10)15/h2-8H,1H3,(H,17,18) |
InChIKey |
KXOHOUGEPPKILF-UHFFFAOYSA-N |
Molecular Weight |
355.151 g/mol |
SMILES |
C1=CC=C(C(=C1)F)C(NC1=C(C=C(C)C=C1)I)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949694 |