| SpectraBase Compound ID | Bp4xZIiH4SY |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-6-9-11-16(7-2)14-22-18(20)12-10-13-19(21)23-17(8-3)15(4)5/h15-17H,6-14H2,1-5H3 |
| InChIKey | QAOONWIILHZUKD-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kb1Mjb2h8sE |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.261359635 u |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-6-9-11-16(7-2)14-22-18(20)12-10-13-19(21)23-17(8-3)15(4)5/h15-17H,6-14H2,1-5H3 |
| InChIKey | QAOONWIILHZUKD-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OCC(CC)CCCC)=O |