| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2023-04-11 00:00:00 UTC |
|---|
| Updated at | 2023-04-11 00:00:00 UTC |
|---|
| RI-Pred ID | RI01661357 |
|---|
|
| Compound Identification |
|---|
| Common Name | PI(18:1(12Z)-2OH(9,10)/16:1(9Z)) |
|---|
| Structure | |
|---|
| Average Molecular Weight | 866.5157 |
|---|
| SMILES | [H][C@@](COC(=O)CCCCCCC[C@@H](O)[C@H](O)C\C=C/CCCCC)(COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C/CCCCCC |
|---|
|
| Physical Properties |
|---|
| Predicted Properties | | Property | Value | Reference |
|---|
| Retention Index | 5190.3354 |
|
|---|
|
| References |
|---|
| General References | Accurate Prediction of Gas Chromatographic Kováts Retention Indices |
|---|
