Showing RIpred-Card for PI(16:1(9Z)/PGJ2) (RI01661309)

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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 IDRI01661309
Compound Identification
Common NamePI(16:1(9Z)/PGJ2)
Structure
Average Molecular Weight886.4844
SMILESCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H]1COP(O)(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C\C=C/CCCC(=O)O1)C=CC(=O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@H](O)[C@H]2O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5631.04
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices