| SpectraBase Compound ID | F9pIB8qngBG |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-6-7-8-9-10-11-12-16-24-19(22)14-13-15-20(23)25-21(17(2)3)18(4)5/h17-18,21H,6-16H2,1-5H3 |
| InChIKey | MCYGZSHWSSNVLH-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C21H40O4 |
| Exact Mass | 356.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CuWHgGVKVOi |
|---|---|
| Name | Glutaric acid, 2,4-dimethylpent-3-yl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.292659764 u |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-6-7-8-9-10-11-12-16-24-19(22)14-13-15-20(23)25-21(17(2)3)18(4)5/h17-18,21H,6-16H2,1-5H3 |
| InChIKey | MCYGZSHWSSNVLH-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | CC(C(OC(CCCC(OCCCCCCCCC)=O)=O)C(C)C)C |