SpectraBase Spectrum ID |
Jq3J3bxmpu9 |
Name |
Benzamide, N-(2-iodo-4-methylphenyl)-4-bromo- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
414.906871977 u |
Formula |
C14H11BrINO |
InChI |
InChI=1S/C14H11BrINO/c1-9-2-7-13(12(16)8-9)17-14(18)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,17,18) |
InChIKey |
RZGLSSFPVIFGKD-UHFFFAOYSA-N |
Molecular Weight |
416.056 g/mol |
SMILES |
C1=C(C=CC(=C1)C(NC1=C(C=C(C)C=C1)I)=O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878696 |