| SpectraBase Compound ID | H0hS4KN7KuR |
|---|---|
| InChI | InChI=1S/C23H44O5/c1-5-6-7-8-12-21(15-18-26-4)16-19-28-23(25)14-9-13-22(24)27-17-10-11-20(2)3/h20-21H,5-19H2,1-4H3 |
| InChIKey | CVFIPJMFLMWMOP-UHFFFAOYSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C23H44O5 |
| Exact Mass | 400.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wBoRwPQsUL |
|---|---|
| Name | Glutaric acid, isohexyl 3-(2-methoxyethyl)nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.318874512 u |
| Formula | C23H44O5 |
| InChI | InChI=1S/C23H44O5/c1-5-6-7-8-12-21(15-18-26-4)16-19-28-23(25)14-9-13-22(24)27-17-10-11-20(2)3/h20-21H,5-19H2,1-4H3 |
| InChIKey | CVFIPJMFLMWMOP-UHFFFAOYSA-N |
| Molecular Weight | 400.600 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OCCC(CCOC)CCCCCC)=O)=O |