| SpectraBase Compound ID | 8g52yKYJ91G |
|---|---|
| InChI | InChI=1S/C20H38O5/c1-5-7-9-18(6-2)16-25-20(22)11-8-10-19(21)24-15-13-17(3)12-14-23-4/h17-18H,5-16H2,1-4H3 |
| InChIKey | WWHCWGQCIFJIER-UHFFFAOYSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C20H38O5 |
| Exact Mass | 358.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GgMNzNrqSxF |
|---|---|
| Name | Glutaric acid, 2-ethylhexyl 3-methyl-5-methoxypentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.271924319 u |
| Formula | C20H38O5 |
| InChI | InChI=1S/C20H38O5/c1-5-7-9-18(6-2)16-25-20(22)11-8-10-19(21)24-15-13-17(3)12-14-23-4/h17-18H,5-16H2,1-4H3 |
| InChIKey | WWHCWGQCIFJIER-UHFFFAOYSA-N |
| Molecular Weight | 358.519 g/mol |
| SMILES | C(CCC(OCC(CC)CCCC)=O)C(OCCC(C)CCOC)=O |