| SpectraBase Compound ID | 4dRGt2q07Fx |
|---|---|
| InChI | InChI=1S/C23H43ClO4/c1-2-3-15-20-27-22(25)17-12-8-4-5-9-13-18-23(26)28-21-16-11-7-6-10-14-19-24/h2-21H2,1H3 |
| InChIKey | MNTLAPUZOYVMPW-UHFFFAOYSA-N |
| Mol Weight | 419.0 g/mol |
| Molecular Formula | C23H43ClO4 |
| Exact Mass | 418.284988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtIBYZ8Norp |
|---|---|
| Name | Sebacic acid, 8-chlorooctyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.284987561 u |
| Formula | C23H43ClO4 |
| InChI | InChI=1S/C23H43ClO4/c1-2-3-15-20-27-22(25)17-12-8-4-5-9-13-18-23(26)28-21-16-11-7-6-10-14-19-24/h2-21H2,1H3 |
| InChIKey | MNTLAPUZOYVMPW-UHFFFAOYSA-N |
| Molecular Weight | 419.046 g/mol |
| SMILES | C(CCCCC(OCCCCCCCCCl)=O)CCCC(OCCCCC)=O |