SpectraBase Spectrum ID |
6jqSjM40qbW |
Name |
Propanamide, N-(2-iodo-4-methylphenyl)-2-chloro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.957386677 u |
Formula |
C10H11ClINO |
InChI |
InChI=1S/C10H11ClINO/c1-6-3-4-9(8(12)5-6)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14) |
InChIKey |
ZEFWFZBQZSRJBP-UHFFFAOYSA-N |
Molecular Weight |
323.561 g/mol |
SMILES |
CC(C(NC1=CC=C(C)C=C1I)=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964526 |