SpectraBase Spectrum ID |
5MZh2Fqwlhi |
Name |
N-[2-(4-Cyano-2-iodophenoxy)phenyl]acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
377.986522600 u |
Formula |
C15H11IN2O2 |
InChI |
InChI=1S/C15H11IN2O2/c1-10(19)18-13-4-2-3-5-15(13)20-14-7-6-11(9-17)8-12(14)16/h2-8H,1H3,(H,18,19) |
InChIKey |
AMMJCPGMBUQWHF-UHFFFAOYSA-N |
Molecular Weight |
378.169 g/mol |
SMILES |
C=1C=C(OC2=CC=CC=C2NC(=O)C)C(I)=CC1C#N |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875505 |