| SpectraBase Compound ID | EmS2XQ1ZI2a |
|---|---|
| InChI | InChI=1S/C23H43ClO4/c1-3-4-5-6-9-12-16-21(2)28-23(26)18-15-17-22(25)27-20-14-11-8-7-10-13-19-24/h21H,3-20H2,1-2H3 |
| InChIKey | ZECRMMHNMKAULK-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 | JPjOLVAGxDX |
|---|---|
| Name | Glutaric acid, dec-2-yl 8-chlorooctyl 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/c1-3-4-5-6-9-12-16-21(2)28-23(26)18-15-17-22(25)27-20-14-11-8-7-10-13-19-24/h21H,3-20H2,1-2H3 |
| InChIKey | ZECRMMHNMKAULK-UHFFFAOYSA-N |
| Molecular Weight | 419.046 g/mol |
| SMILES | C(CCC(OC(CCCCCCCC)C)=O)C(OCCCCCCCCCl)=O |