| SpectraBase Spectrum ID |
IOaU6FktMDo |
| Name |
2',4'-Dimethyloxanilic acid N'-(4-iodobenzylidene)hydrazide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.028721765 u |
| Formula |
C17H16IN3O2 |
| InChI |
InChI=1S/C17H16IN3O2/c1-11-3-8-15(12(2)9-11)20-16(22)17(23)21-19-10-13-4-6-14(18)7-5-13/h3-10H,1-2H3,(H,20,22)(H,21,23)/b19-10+ |
| InChIKey |
RUUVPRKIHKHZQJ-VXLYETTFSA-N |
| Molecular Weight |
421.238 g/mol |
| SMILES |
C(C(NC1=C(C=C(C)C=C1)C)=O)(N\N=C\C=1C=CC(I)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938686 |
