| SpectraBase Spectrum ID |
KaGmEYx59RH |
| Name |
N-(4-Iodo-phenyl)-3-[(2-methyl-benzoyl)-hydrazono]-butyramide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.044371830 u |
| Formula |
C18H18IN3O2 |
| InChI |
InChI=1S/C18H18IN3O2/c1-12-5-3-4-6-16(12)18(24)22-21-13(2)11-17(23)20-15-9-7-14(19)8-10-15/h3-10H,11H2,1-2H3,(H,20,23)(H,22,24)/b21-13+ |
| InChIKey |
QGDZHNARWVYDDF-FYJGNVAPSA-N |
| Molecular Weight |
435.265 g/mol |
| SMILES |
C1(C(N\N=C\(CC(NC2=CC=C(I)C=C2)=O)C)=O)=C(C=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833275 |