| SpectraBase Compound ID | gyq9WKNqvc |
|---|---|
| InChI | InChI=1S/C28H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)30-26-22-28(23(2)3)21-25(28)24(26)4/h9-10,12-13,23,25-26H,4-8,11,14-22H2,1-3H3/b10-9-,13-12- |
| InChIKey | VJQWTQQHRZCKJN-UTJQPWESSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C28H46O2 |
| Exact Mass | 414.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AeEd6RVhLDp |
|---|---|
| Name | Sabinyl linoleate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.349780719 u |
| Formula | C28H46O2 |
| InChI | InChI=1S/C28H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)30-26-22-28(23(2)3)21-25(28)24(26)4/h9-10,12-13,23,25-26H,4-8,11,14-22H2,1-3H3/b10-9-,13-12- |
| InChIKey | VJQWTQQHRZCKJN-UTJQPWESSA-N |
| Molecular Weight | 414.674 g/mol |
| SMILES | C(CCCCCCC\C=C/C\C=C/CCCCC)(=O)OC1CC2(CC2C1=C)C(C)C |