| SpectraBase Compound ID | 5epWN7GDvXB |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-7-9-11-17(8-2)14-23-18(21)12-10-13-19(22)24-20(15(3)4)16(5)6/h15-17,20H,7-14H2,1-6H3 |
| InChIKey | VOQIUEARBRVCPB-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KUhQUWtGZfx |
|---|---|
| Name | Glutaric acid, 2-ethylhexyl 2,4-dimethylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-7-9-11-17(8-2)14-23-18(21)12-10-13-19(22)24-20(15(3)4)16(5)6/h15-17,20H,7-14H2,1-6H3 |
| InChIKey | VOQIUEARBRVCPB-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCC(OCC(CC)CCCC)=O)C(OC(C(C)C)C(C)C)=O |