Showing RIpred-Card for Thiamine,3TMS,isomer#1 (RI00012068)

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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 IDRI00012068
Compound Identification
Common NameThiamine,3TMS,isomer#1
Structure
Average Molecular Weight481.2303
SMILESCC1=NC=C(C[N+]2=CSC(CCO[Si](C)(C)C)=C2C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index2583.702
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices