| SpectraBase Compound ID | 9mhXmSbUvjY |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-7-9-11-18(8-2)16-25-20(23)13-10-12-19(22)24-15-17(3)14-21(4,5)6/h17-18H,7-16H2,1-6H3 |
| InChIKey | YUJSMKOVQIPNOD-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 | 9yNJ6UWOO9f |
|---|---|
| Name | Glutaric acid, 2-ethylhexyl 2,4,4-trimethylpentyl 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/c1-7-9-11-18(8-2)16-25-20(23)13-10-12-19(22)24-15-17(3)14-21(4,5)6/h17-18H,7-16H2,1-6H3 |
| InChIKey | YUJSMKOVQIPNOD-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | C(CCC(OCC(CC)CCCC)=O)C(OCC(CC(C)(C)C)C)=O |