Showing RIpred-Card for PI(16:1(9Z)/18:1(12Z)-O(9S,10R)) (RI01661361)

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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 IDRI01661361
Compound Identification
Common NamePI(16:1(9Z)/18:1(12Z)-O(9S,10R))
Structure
Average Molecular Weight848.5051
SMILES[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCC1OC1C\C=C/CCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5107.1533
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices