| SpectraBase Compound ID | KepQiinpUq4 |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-14(2)15(3)23-18(21)8-7-9-19(22)24-17-12-10-16(11-13-17)20(4,5)6/h14-17H,7-13H2,1-6H3 |
| InChIKey | DQHCKUBYXFRJAB-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 | 38ffNlmnoMV |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl cis-4-tert-butylcyclohexyl 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/c1-14(2)15(3)23-18(21)8-7-9-19(22)24-17-12-10-16(11-13-17)20(4,5)6/h14-17H,7-13H2,1-6H3 |
| InChIKey | DQHCKUBYXFRJAB-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC1CCC(C(C)(C)C)CC1)=O |