| SpectraBase Compound ID | FxgL3o0xu9N |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-5-8-10-12-17(4)24-20(22)15-11-14-19(21)23-16-18(7-3)13-9-6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey | HFDYIHVLZLRRIL-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 | 8hmOoaZc8mh |
|---|---|
| Name | Glutaric acid, hept-2-yl 2-ethylhexyl 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/c1-5-8-10-12-17(4)24-20(22)15-11-14-19(21)23-16-18(7-3)13-9-6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey | HFDYIHVLZLRRIL-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OCC(CC)CCCC)=O |