| SpectraBase Compound ID | GdTE9GnCFSU |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-14-8-10-18(12-16(14)3)24-20(22)6-5-7-21(23)25-19-11-9-15(2)17(4)13-19/h14-19H,5-13H2,1-4H3 |
| InChIKey | BDKGJIBGMWWXNW-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 | 5vY90SlBmlx |
|---|---|
| Name | Glutaric acid, di(3,4-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/c1-14-8-10-18(12-16(14)3)24-20(22)6-5-7-21(23)25-19-11-9-15(2)17(4)13-19/h14-19H,5-13H2,1-4H3 |
| InChIKey | BDKGJIBGMWWXNW-UHFFFAOYSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(CCC(OC1CCC(C)C(C)C1)=O)C(OC1CC(C(C)CC1)C)=O |