| SpectraBase Compound ID | 45GUgaQ288d |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9- |
| InChIKey | GGJRAQULURVTAJ-PDBXOOCHSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AzhVBziWC5w |
|---|---|
| Name | Monolinolenin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9- |
| InChIKey | GGJRAQULURVTAJ-PDBXOOCHSA-N |
| Instrument Name | Xevo G2-S QToF |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/pca.3259 |
| Molecular Weight | 352.515 g/mol |
| Quality | 257 |
| SMILES | OCC(COC(CCCCCCC\C=C/C\C=C/C\C=C/CC)=O)O |
| SPLASH | splash10-0udi-0249000000-217da92a633ac625398e |
| Source of Spectrum | PA-34-SM5-Monolinolenin (DOI: 10.1002/pca.3259) |
| Wiley ID | 1911782 |