| SpectraBase Spectrum ID |
BeFcyLcviSE |
| Name |
1,1-Dimethyl-3-[2,2,2-trichloro-1-(2-iodo-phenylamino)-ethyl]-urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.916890150 u |
| Formula |
C11H13Cl3IN3O |
| InChI |
InChI=1S/C11H13Cl3IN3O/c1-18(2)10(19)17-9(11(12,13)14)16-8-6-4-3-5-7(8)15/h3-6,9,16H,1-2H3,(H,17,19) |
| InChIKey |
AYNSHXBSAGJWLW-UHFFFAOYSA-N |
| Molecular Weight |
436.508 g/mol |
| SMILES |
C(NC1=C(C=CC=C1)I)(NC(N(C)C)=O)C(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842721 |
![1,1-Dimethyl-3-[2,2,2-trichloro-1-(2-iodo-phenylamino)-ethyl]-urea](/api/spectrum/BeFcyLcviSE/structure.png?h=300&w=458 "1,1-Dimethyl-3-[2,2,2-trichloro-1-(2-iodo-phenylamino)-ethyl]-urea")
