| SpectraBase Spectrum ID |
1SM4WF3o1HO |
| Name |
3-(Benzyl-methyl-amino)-1-(4-iodo-phenyl)-pyrrolidine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.033472793 u |
| Formula |
C18H17IN2O2 |
| InChI |
InChI=1S/C18H17IN2O2/c1-20(12-13-5-3-2-4-6-13)16-11-17(22)21(18(16)23)15-9-7-14(19)8-10-15/h2-10,16H,11-12H2,1H3 |
| InChIKey |
UXYHRWKZHDJGPW-UHFFFAOYSA-N |
| Molecular Weight |
420.250 g/mol |
| SMILES |
C1=CC=C(C=C1)CN(C1C(N(C2=CC=C(C=C2)I)C(=O)C1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88118 |
