| SpectraBase Compound ID | G3EygALgbPg |
|---|---|
| InChI | InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,52H,4-16,18-19,21-24,29-51H2,1-3H3/b20-17-,27-25-,28-26- |
| InChIKey | ZDZVWVCNWRMGLA-UNMLGJOQSA-N |
| Mol Weight | 857.4 g/mol |
| Molecular Formula | C55H100O6 |
| Exact Mass | 856.751991 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BuMQF986zbp |
|---|---|
| Name | 1-palmitic acid-2-linoleic-3-oleic acid glyceride |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 856.751990934 u |
| Formula | C55H100O6 |
| InChI | InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,52H,4-16,18-19,21-24,29-51H2,1-3H3/b20-17-,27-25-,28-26- |
| InChIKey | ZDZVWVCNWRMGLA-UNMLGJOQSA-N |
| Instrument Name | Finnigan TRACE DSQ |
| Ionization Type | EI |
| Molecular Weight | 857.399 g/mol |
| Quality | 612 |
| SMILES | C(CCCCCCC\C=C/CCCCCCCC)(=O)OCC(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCC\C=C/C\C=C/CCCCC)=O |
| SPLASH | splash10-056r-9332172000-6c78827bdd0c999c5b99 |
| Source of Spectrum | WO2016008437A1 |
| Wiley ID | 1892649 |