| SpectraBase Compound ID | Ey81rrYrkWV |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-5-6-7-8-15-23-18(21)13-14-19(22)24-17-11-9-16(10-12-17)20(2,3)4/h16-17H,5-15H2,1-4H3 |
| InChIKey | BSAAMIVQCPTRHV-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 | 7YbscLdvhhc |
|---|---|
| Name | Succinic acid, hexyl trans-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/c1-5-6-7-8-15-23-18(21)13-14-19(22)24-17-11-9-16(10-12-17)20(2,3)4/h16-17H,5-15H2,1-4H3 |
| InChIKey | BSAAMIVQCPTRHV-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | CCCCCCOC(CCC(OC1CCC(CC1)C(C)(C)C)=O)=O |