| SpectraBase Spectrum ID |
IW2D0oImiVG |
| Name |
4,4'-di-Tert-butyl-5,5'-diiodo-2,2'-dimethoxybiphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
578.017870140 u |
| Formula |
C22H28I2O2 |
| InChI |
InChI=1S/C22H28I2O2/c1-21(2,3)15-11-19(25-7)13(9-17(15)23)14-10-18(24)16(22(4,5)6)12-20(14)26-8/h9-12H,1-8H3 |
| InChIKey |
MPPOLBGWKMWUPJ-UHFFFAOYSA-N |
| Molecular Weight |
578.273 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)I)C(C)(C)C)OC)C=1C(=CC(=C(C1)I)C(C)(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915727 |
