| SpectraBase Compound ID | GMW3OOm8MlT |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-5-9-10-11-12-18-25-21(23)14-13-15-22(24)26-20(8-4)17-16-19(6-2)7-3/h19-20H,5-18H2,1-4H3 |
| InChIKey | YHYKYJLPUUKKFO-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JnYRCbDuiMi |
|---|---|
| Name | Glutaric acid, 6-ethyloct-3-yl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-5-9-10-11-12-18-25-21(23)14-13-15-22(24)26-20(8-4)17-16-19(6-2)7-3/h19-20H,5-18H2,1-4H3 |
| InChIKey | YHYKYJLPUUKKFO-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | CCC(OC(=O)CCCC(OCCCCCCC)=O)CCC(CC)CC |