| SpectraBase Compound ID | 9RSXyT6Gi7Y |
|---|---|
| InChI | InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,54H,4-17,19-20,22-24,31-53H2,1-3H3/b21-18-,28-25-,29-26-,30-27- |
| InChIKey | UBFOEWXGSAZLKS-FVCHKXIASA-N |
| Mol Weight | 883.4 g/mol |
| Molecular Formula | C57H102O6 |
| Exact Mass | 882.767641 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L1DmZIjtgUW |
|---|---|
| Name | 1,3-dioleic acid-2-linoleic acid glyceride |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 882.767640998 u |
| Formula | C57H102O6 |
| InChI | InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,54H,4-17,19-20,22-24,31-53H2,1-3H3/b21-18-,28-25-,29-26-,30-27- |
| InChIKey | UBFOEWXGSAZLKS-FVCHKXIASA-N |
| Instrument Name | Finnigan TRACE DSQ |
| Ionization Type | EI |
| Molecular Weight | 883.437 g/mol |
| Quality | 173 |
| SMILES | C(CCCCCCC\C=C/CCCCCCCC)(=O)OCC(COC(CCCCCCC\C=C/CCCCCCCC)=O)OC(CCCCCCC\C=C/C\C=C/CCCCC)=O |
| SPLASH | splash10-0udi-9343035000-1742ffe99858f02fdabd |
| Source of Spectrum | WO2016008436A1 |
| Wiley ID | 1892648 |