| SpectraBase Compound ID | LhbFeVmcDTS |
|---|---|
| InChI | InChI=1S/C40H76O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20H,3-11,13,15-17,19,21-39H2,1-2H3/b14-12-,20-18- |
| InChIKey | PZFBERMREGYNHL-MLWYYCKJSA-N |
| Mol Weight | 589.0 g/mol |
| Molecular Formula | C40H76O2 |
| Exact Mass | 588.584532 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9nrVLKJz7al |
|---|---|
| Name | Linoleyl behenate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 588.584531685 u |
| Formula | C40H76O2 |
| InChI | InChI=1S/C40H76O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20H,3-11,13,15-17,19,21-39H2,1-2H3/b14-12-,20-18- |
| InChIKey | PZFBERMREGYNHL-MLWYYCKJSA-N |
| Molecular Weight | 589.046 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCC)(=O)OCCCCCCCC\C=C/C\C=C/CCCCC |