| SpectraBase Compound ID | 7EYsnz6UHIy |
|---|---|
| InChI | InChI=1S/C24H45ClO4/c1-2-3-4-16-21-28-23(26)18-13-9-5-6-10-14-19-24(27)29-22-17-12-8-7-11-15-20-25/h2-22H2,1H3 |
| InChIKey | QMOGOTCAENXODL-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 | MPOC4bqNA1 |
|---|---|
| Name | Sebacic acid, 8-chlorooctyl hexyl 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/c1-2-3-4-16-21-28-23(26)18-13-9-5-6-10-14-19-24(27)29-22-17-12-8-7-11-15-20-25/h2-22H2,1H3 |
| InChIKey | QMOGOTCAENXODL-UHFFFAOYSA-N |
| Molecular Weight | 433.073 g/mol |
| SMILES | C(CCCCC(OCCCCCCCCCl)=O)CCCC(OCCCCCC)=O |