| SpectraBase Compound ID | D5yARSLDeaC |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-6-18(7-2)14-15-19(8-3)25-21(23)13-9-12-20(22)24-16-10-11-17(4)5/h17-19H,6-16H2,1-5H3 |
| InChIKey | OCLXJBIAOOIBMZ-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C21H40O4 |
| Exact Mass | 356.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DcNiA9NyfqL |
|---|---|
| Name | Glutaric acid, 6-ethyloct-3-yl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.292659764 u |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-6-18(7-2)14-15-19(8-3)25-21(23)13-9-12-20(22)24-16-10-11-17(4)5/h17-19H,6-16H2,1-5H3 |
| InChIKey | OCLXJBIAOOIBMZ-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | CCC(OC(=O)CCCC(OCCCC(C)C)=O)CCC(CC)CC |