| SpectraBase Compound ID | Im5zs30tvpB |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-5-7-8-9-10-11-12-13-14-15-19-26-22(24)17-16-18-23(25)27-21(6-2)20(3)4/h20-21H,5-19H2,1-4H3 |
| InChIKey | WBQXXJCYPBRWHZ-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7IQbEcg5HLr |
|---|---|
| Name | Glutaric acid, dodecyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-5-7-8-9-10-11-12-13-14-15-19-26-22(24)17-16-18-23(25)27-21(6-2)20(3)4/h20-21H,5-19H2,1-4H3 |
| InChIKey | WBQXXJCYPBRWHZ-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | CCC(OC(CCCC(OCCCCCCCCCCCC)=O)=O)C(C)C |