| SpectraBase Compound ID | 7KMW0qfxdQ9 |
|---|---|
| InChI | InChI=1S/C27H51ClO4/c1-2-3-4-14-19-24-31-26(29)21-16-11-7-8-12-17-22-27(30)32-25-20-15-10-6-5-9-13-18-23-28/h2-25H2,1H3 |
| InChIKey | VMGWHHYXOKLGJO-UHFFFAOYSA-N |
| Mol Weight | 475.2 g/mol |
| Molecular Formula | C27H51ClO4 |
| Exact Mass | 474.347588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EnFKfCJJje1 |
|---|---|
| Name | Sebacic acid, 10-chlorodecyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 474.347587818 u |
| Formula | C27H51ClO4 |
| InChI | InChI=1S/C27H51ClO4/c1-2-3-4-14-19-24-31-26(29)21-16-11-7-8-12-17-22-27(30)32-25-20-15-10-6-5-9-13-18-23-28/h2-25H2,1H3 |
| InChIKey | VMGWHHYXOKLGJO-UHFFFAOYSA-N |
| Molecular Weight | 475.154 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCl)=O)CCCCCC(OCCCCCCC)=O |