| SpectraBase Compound ID | 9kBzUjVe6an |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-6-7-8-9-16(2)24-19(22)14-15-20(23)25-18-12-10-17(11-13-18)21(3,4)5/h16-18H,6-15H2,1-5H3 |
| InChIKey | VJIKFHOGRCJRAK-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Y9DFVVtaNe |
|---|---|
| Name | Succinic acid, hept-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 | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-6-7-8-9-16(2)24-19(22)14-15-20(23)25-18-12-10-17(11-13-18)21(3,4)5/h16-18H,6-15H2,1-5H3 |
| InChIKey | VJIKFHOGRCJRAK-UHFFFAOYSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OC1CCC(C(C)(C)C)CC1)=O |