| SpectraBase Spectrum ID |
L3gnaWzRGCH |
| Name |
1,1':3',1''-Terphenyl, 2'-ethoxy-3-iodo-2,2''-bis(methoxymethoxy)-5,5',5''-trimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
562.121619093 u |
| Formula |
C27H31IO5 |
| InChI |
InChI=1S/C27H31IO5/c1-7-31-26-21(20-10-17(2)8-9-25(20)32-15-29-5)11-18(3)12-22(26)23-13-19(4)14-24(28)27(23)33-16-30-6/h8-14H,7,15-16H2,1-6H3 |
| InChIKey |
AYNJDYAKOUCYKU-UHFFFAOYSA-N |
| Molecular Weight |
562.444 g/mol |
| SMILES |
C=1(C=2C(=C(I)C=C(C2)C)OCOC)C(=C(C=2C(=CC=C(C2)C)OCOC)C=C(C1)C)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878129 |
