Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01716302
Compound Identification
Common NameHistamine-betaxanthin,3TMS,isomer#2
Structure
Average Molecular Weight520.2357
SMILESC[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=C[NH]2)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3775.4668
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices