Showing RIpred-Card for Vanillylmandelic acid,3TBDMS,isomer#1 (RI00015400)

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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 IDRI00015400
Compound Identification
Common NameVanillylmandelic acid,3TBDMS,isomer#1
Structure
Average Molecular Weight540.3123
SMILESCOC1=CC([C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index2582.2205
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices