| SpectraBase Spectrum ID |
Jxmn68yHl6t |
| Name |
5-(N,N-Dimethyl)-2-[4-(N,N-dimetyl)-2-(2-cyanoethenyl)benzyl]benzene 2-iodinium |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.085842720 u |
| Formula |
C20H22IN3 |
| InChI |
InChI=1S/C20H22IN3/c1-23(2)18-9-7-16(15(13-18)6-5-11-22)12-17-8-10-19(24(3)4)14-20(17)21/h5-10,13-14H,12H2,1-4H3/b6-5+ |
| InChIKey |
RCHMSKQBKDINIM-AATRIKPKSA-N |
| Molecular Weight |
431.321 g/mol |
| SMILES |
C=1C(N(C)C)=CC=C(C1I)CC=1C(=CC(=CC1)N(C)C)\C=C\C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961427 |
![5-(N,N-Dimethyl)-2-[4-(N,N-dimetyl)-2-(2-cyanoethenyl)benzyl]benzene 2-iodinium](/api/spectrum/Jxmn68yHl6t/structure.png?h=300&w=458 "5-(N,N-Dimethyl)-2-[4-(N,N-dimetyl)-2-(2-cyanoethenyl)benzyl]benzene 2-iodinium")
