| SpectraBase Compound ID | 5HvvXo0Hfbb |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-16(13-20(2,3)4)14-23-18(21)11-8-12-19(22)24-15-17-9-6-5-7-10-17/h16-17H,5-15H2,1-4H3 |
| InChIKey | SOZSIQOAKKKNNY-UHFFFAOYSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GoJ792DBs0H |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 2,4,4-trimethylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-16(13-20(2,3)4)14-23-18(21)11-8-12-19(22)24-15-17-9-6-5-7-10-17/h16-17H,5-15H2,1-4H3 |
| InChIKey | SOZSIQOAKKKNNY-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCC(CC(C)(C)C)C)=O |