Showing RIpred-Card for Thiamine (RI00012072)

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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 IDRI00012072
Compound Identification
Common NameThiamine
Structure
Average Molecular Weight265.1118
SMILESCC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index2426.2917
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices