| SpectraBase Compound ID | Ab8DmaY08Xn |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27(28)29-24-26(4)22-20-21-25(2)3/h6-7,9-10,12-13,21,26H,5,8,11,14-20,22-24H2,1-4H3/b7-6-,10-9-,13-12- |
| InChIKey | DNLJXRTWSSUVRN-QNEBEIHSSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3UqywNOj1K1 |
|---|---|
| Name | 2,6-Dimethylhept-5-en-1-yl, linolenate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.349780719 u |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27(28)29-24-26(4)22-20-21-25(2)3/h6-7,9-10,12-13,21,26H,5,8,11,14-20,22-24H2,1-4H3/b7-6-,10-9-,13-12- |
| InChIKey | DNLJXRTWSSUVRN-QNEBEIHSSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | C(CCCCCCC\C=C/C\C=C/C\C=C/CC)(=O)OCC(CCC=C(C)C)C |