| SpectraBase Compound ID | KwbYpuVyvSO |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-3-5-7-13-18(4-2)24-20(22)15-10-14-19(21)23-16-17-11-8-6-9-12-17/h17-18H,3-16H2,1-2H3 |
| InChIKey | KGUCTPRTUGTPSF-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 | FTAWRgiZDCV |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 3-octyl 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/c1-3-5-7-13-18(4-2)24-20(22)15-10-14-19(21)23-16-17-11-8-6-9-12-17/h17-18H,3-16H2,1-2H3 |
| InChIKey | KGUCTPRTUGTPSF-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OC(CCCCC)CC)=O |