| SpectraBase Compound ID | Hoj89FZatEL |
|---|---|
| InChI | InChI=1S/C26H49ClO4/c1-2-3-4-18-23-30-25(28)20-15-11-7-8-12-16-21-26(29)31-24-19-14-10-6-5-9-13-17-22-27/h2-24H2,1H3 |
| InChIKey | XXCUKWBXJRWIGE-UHFFFAOYSA-N |
| Mol Weight | 461.1 g/mol |
| Molecular Formula | C26H49ClO4 |
| Exact Mass | 460.331938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADdUNQ3jwz3 |
|---|---|
| Name | Sebacic acid, 10-chlorodecyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.331937754 u |
| Formula | C26H49ClO4 |
| InChI | InChI=1S/C26H49ClO4/c1-2-3-4-18-23-30-25(28)20-15-11-7-8-12-16-21-26(29)31-24-19-14-10-6-5-9-13-17-22-27/h2-24H2,1H3 |
| InChIKey | XXCUKWBXJRWIGE-UHFFFAOYSA-N |
| Molecular Weight | 461.127 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCl)=O)CCCCCC(OCCCCCC)=O |