| SpectraBase Compound ID | 9K3DPkQKqWu |
|---|---|
| InChI | InChI=1S/C25H47ClO4/c1-2-3-4-5-6-7-9-12-17-22-29-24(27)19-14-15-20-25(28)30-23-18-13-10-8-11-16-21-26/h2-23H2,1H3 |
| InChIKey | LKUKCNAZWDVRMP-UHFFFAOYSA-N |
| Mol Weight | 447.1 g/mol |
| Molecular Formula | C25H47ClO4 |
| Exact Mass | 446.316288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqbV0amyF0h |
|---|---|
| Name | Adipic acid, 8-chloroctyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.316287689 u |
| Formula | C25H47ClO4 |
| InChI | InChI=1S/C25H47ClO4/c1-2-3-4-5-6-7-9-12-17-22-29-24(27)19-14-15-20-25(28)30-23-18-13-10-8-11-16-21-26/h2-23H2,1H3 |
| InChIKey | LKUKCNAZWDVRMP-UHFFFAOYSA-N |
| Molecular Weight | 447.100 g/mol |
| SMILES | C(OCCCCCCCCCl)(CCCCC(OCCCCCCCCCCC)=O)=O |