| SpectraBase Compound ID | 13x9Cz6BJbK |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-6-8-10-17(7-2)14-22-18(20)11-9-12-19(21)23-16(5)13-15(3)4/h15-17H,6-14H2,1-5H3 |
| InChIKey | XETZACKDLAFXGG-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 | 3993AwqRKhS |
|---|---|
| Name | Glutaric acid, 2-ethylhexyl 4-methylpent-2-yl 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/c1-6-8-10-17(7-2)14-22-18(20)11-9-12-19(21)23-16(5)13-15(3)4/h15-17H,6-14H2,1-5H3 |
| InChIKey | XETZACKDLAFXGG-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(CCC(OC(C)CC(C)C)=O)C(OCC(CC)CCCC)=O |