| SpectraBase Compound ID | EAAkbrUPfBF |
|---|---|
| InChI | InChI=1S/C22H41ClO4/c1-2-3-19-26-21(24)16-12-8-4-5-9-13-17-22(25)27-20-15-11-7-6-10-14-18-23/h2-20H2,1H3 |
| InChIKey | IKYKJQFWLLNZHX-UHFFFAOYSA-N |
| Mol Weight | 405.0 g/mol |
| Molecular Formula | C22H41ClO4 |
| Exact Mass | 404.269337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3utjyQVpGoR |
|---|---|
| Name | Sebacic acid, butyl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.269337496 u |
| Formula | C22H41ClO4 |
| InChI | InChI=1S/C22H41ClO4/c1-2-3-19-26-21(24)16-12-8-4-5-9-13-17-22(25)27-20-15-11-7-6-10-14-18-23/h2-20H2,1H3 |
| InChIKey | IKYKJQFWLLNZHX-UHFFFAOYSA-N |
| Molecular Weight | 405.019 g/mol |
| SMILES | C(CCCCC(OCCCCCCCCCl)=O)CCCC(OCCCC)=O |