| SpectraBase Compound ID | 91BKhR0YCDo |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-3-5-10-18(4-2)17-25-21(23)14-9-13-20(22)24-16-15-19-11-7-6-8-12-19/h18-19H,3-17H2,1-2H3 |
| InChIKey | DQELQRMATBEGHL-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Bp1GPhwcw2 |
|---|---|
| Name | Glutaric acid, 2-(cyclohexyl)ethyl 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-3-5-10-18(4-2)17-25-21(23)14-9-13-20(22)24-16-15-19-11-7-6-8-12-19/h18-19H,3-17H2,1-2H3 |
| InChIKey | DQELQRMATBEGHL-UHFFFAOYSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(CCC(OCC(CC)CCCC)=O)C(OCCC1CCCCC1)=O |