| SpectraBase Compound ID | A9sR2TX4PXa |
|---|---|
| InChI | InChI=1S/C23H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(24)25-22-20-6-4-2/h9-10,12-13H,3-8,11,14-22H2,1-2H3/b10-9-,13-12- |
| InChIKey | RWSPHQOPNBVTAO-UTJQPWESSA-N |
| Mol Weight | 350.6 g/mol |
| Molecular Formula | C23H42O2 |
| Exact Mass | 350.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jg5lXqiaS6E |
|---|---|
| Name | Pentyl linoleate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.318480590 u |
| Formula | C23H42O2 |
| InChI | InChI=1S/C23H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(24)25-22-20-6-4-2/h9-10,12-13H,3-8,11,14-22H2,1-2H3/b10-9-,13-12- |
| InChIKey | RWSPHQOPNBVTAO-UTJQPWESSA-N |
| Molecular Weight | 350.587 g/mol |
| SMILES | C(CCCCCCC\C=C/C\C=C/CCCCC)(=O)OCCCCC |