| SpectraBase Compound ID | Lv0PTIoh8OY |
|---|---|
| InChI | InChI=1S/C28H53ClO4/c1-2-3-4-5-15-20-25-32-27(30)22-17-12-8-9-13-18-23-28(31)33-26-21-16-11-7-6-10-14-19-24-29/h2-26H2,1H3 |
| InChIKey | CDEDJKAMRYIXKT-UHFFFAOYSA-N |
| Mol Weight | 489.2 g/mol |
| Molecular Formula | C28H53ClO4 |
| Exact Mass | 488.363238 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IdFHTJMOJds |
|---|---|
| Name | Sebacic acid, 10-chlorodecyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 488.363237883 u |
| Formula | C28H53ClO4 |
| InChI | InChI=1S/C28H53ClO4/c1-2-3-4-5-15-20-25-32-27(30)22-17-12-8-9-13-18-23-28(31)33-26-21-16-11-7-6-10-14-19-24-29/h2-26H2,1H3 |
| InChIKey | CDEDJKAMRYIXKT-UHFFFAOYSA-N |
| Molecular Weight | 489.181 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCl)=O)CCCCCC(OCCCCCCCC)=O |