Showing RIpred-Card for Histamine-betaxanthin,3TBDMS,isomer#4 (RI01716309)

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IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01716309
Compound Identification
Common NameHistamine-betaxanthin,3TBDMS,isomer#4
Structure
Average Molecular Weight646.3766
SMILESCC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/CCC2=CN=CN2[Si](C)(C)C(C)(C)C)C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3969.0793
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices