| SpectraBase Compound ID | 1F0ssiDagGw |
|---|---|
| InChI | InChI=1S/C21H39ClO4/c1-3-5-13-19(4-2)18-26-21(24)15-12-14-20(23)25-17-11-9-7-6-8-10-16-22/h19H,3-18H2,1-2H3 |
| InChIKey | MTIOUCTUXCIBPF-UHFFFAOYSA-N |
| Mol Weight | 391.0 g/mol |
| Molecular Formula | C21H39ClO4 |
| Exact Mass | 390.253687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9UffiF4wsqV |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.253687432 u |
| Formula | C21H39ClO4 |
| InChI | InChI=1S/C21H39ClO4/c1-3-5-13-19(4-2)18-26-21(24)15-12-14-20(23)25-17-11-9-7-6-8-10-16-22/h19H,3-18H2,1-2H3 |
| InChIKey | MTIOUCTUXCIBPF-UHFFFAOYSA-N |
| Molecular Weight | 390.992 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OCC(CC)CCCC)=O |