| SpectraBase Compound ID | 5VqueCJzyFZ |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-14-8-15(2)11-18(10-14)24-20(22)6-5-7-21(23)25-19-12-16(3)9-17(4)13-19/h14-19H,5-13H2,1-4H3 |
| InChIKey | SSMLRCVHYKFROE-UHFFFAOYSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HhKQ1Jw96pX |
|---|---|
| Name | Glutaric acid, di(3,5-dimethylcyclohexyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-14-8-15(2)11-18(10-14)24-20(22)6-5-7-21(23)25-19-12-16(3)9-17(4)13-19/h14-19H,5-13H2,1-4H3 |
| InChIKey | SSMLRCVHYKFROE-UHFFFAOYSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(CCC(OC1CC(C)CC(C)C1)=O)C(OC1CC(C)CC(C)C1)=O |