Showing RIpred-Card for Nutriacholic acid,2TMS,isomer#5 (RI00022470)

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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 IDRI00022470
Compound Identification
Common NameNutriacholic acid,2TMS,isomer#5
Structure
Average Molecular Weight534.3561
SMILESC[C@@H](CCC(=O)O)C1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3262.1292
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices