SpectraBase Spectrum ID |
ICCpWIi0uOm |
Name |
3-Iodo-benzoic acid [1-(2,4-dimethoxy-phenyl)-ethylidene]-hydrazide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
424.028387412 u |
Formula |
C17H17IN2O3 |
InChI |
InChI=1S/C17H17IN2O3/c1-11(15-8-7-14(22-2)10-16(15)23-3)19-20-17(21)12-5-4-6-13(18)9-12/h4-10H,1-3H3,(H,20,21)/b19-11- |
InChIKey |
NVDCLPBLBJOXLE-ODLFYWEKSA-N |
Molecular Weight |
424.238 g/mol |
SMILES |
C1(=C(C=C(C=C1)OC)OC)\C(=N/NC(C1=CC(=CC=C1)I)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815865 |