| SpectraBase Compound ID | 4REChJP47MK |
|---|---|
| InChI | InChI=1S/C24H45ClO4/c1-2-3-21-28-23(26)18-14-10-6-7-11-15-19-24(27)29-22-17-13-9-5-4-8-12-16-20-25/h2-22H2,1H3 |
| InChIKey | BTTCEUOPIBQMJW-UHFFFAOYSA-N |
| Mol Weight | 433.1 g/mol |
| Molecular Formula | C24H45ClO4 |
| Exact Mass | 432.300638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HUmTSVAPIop |
|---|---|
| Name | Sebacic acid, butyl 10-chlorodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.300637625 u |
| Formula | C24H45ClO4 |
| InChI | InChI=1S/C24H45ClO4/c1-2-3-21-28-23(26)18-14-10-6-7-11-15-19-24(27)29-22-17-13-9-5-4-8-12-16-20-25/h2-22H2,1H3 |
| InChIKey | BTTCEUOPIBQMJW-UHFFFAOYSA-N |
| Molecular Weight | 433.073 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCl)=O)CCCCCC(OCCCC)=O |