| SpectraBase Spectrum ID |
6xzb0ttIgRI |
| Name |
2-(3,5-Dimethyl-phenoxy)-N-(4-iodo-2-methyl-phenyl)-acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.038223822 u |
| Formula |
C17H18INO2 |
| InChI |
InChI=1S/C17H18INO2/c1-11-6-12(2)8-15(7-11)21-10-17(20)19-16-5-4-14(18)9-13(16)3/h4-9H,10H2,1-3H3,(H,19,20) |
| InChIKey |
FHKZDPZYFCDEML-UHFFFAOYSA-N |
| Molecular Weight |
395.240 g/mol |
| SMILES |
C1(OCC(NC2=C(C=C(I)C=C2)C)=O)=CC(=CC(=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872233 |
