Showing RIpred-Card for 4-Methoxyglucobrassicin,5TMS,isomer#3 (RI01701724)

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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 IDRI01701724
Compound Identification
Common Name4-Methoxyglucobrassicin,5TMS,isomer#3
Structure
Average Molecular Weight838.2692
SMILESCOC1=CC=CC2=C1C(C/C(=N/OS(=O)(=O)O[Si](C)(C)C)SC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)=CN2[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4049.8723
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices