Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01716284
Compound Identification
Common NameHistamine-betaxanthin,3TMS,isomer#4
Structure
Average Molecular Weight520.2357
SMILESC[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/CCC2=CN=CN2[Si](C)(C)C)C=C(C(=O)O)N1[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index2636.5862
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices