SpectraBase Spectrum ID |
7tKsKwkFCRx |
Name |
3-[2-[2-(2-Iodanylethoxy)ethoxy]ethoxy]-4-(methylamino)benzaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
393.043703124 u |
Formula |
C14H20INO4 |
InChI |
InChI=1S/C14H20INO4/c1-16-13-3-2-12(11-17)10-14(13)20-9-8-19-7-6-18-5-4-15/h2-3,10-11,16H,4-9H2,1H3 |
InChIKey |
XSJCYZPJROGBGC-UHFFFAOYSA-N |
Molecular Weight |
393.221 g/mol |
SMILES |
C=1(C(=CC=C(C1)C=O)NC)OCCOCCOCCI |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96477 |