| SpectraBase Compound ID | G6Upl6Gs8oU |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-19-14(17)10-11-15(18)20-13-8-6-12(7-9-13)16(2,3)4/h12-13H,5-11H2,1-4H3 |
| InChIKey | UWVDMDGKNIATPX-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxAgrHXU5ug |
|---|---|
| Name | Succinic acid, ethyl trans-4-tert-butylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-5-19-14(17)10-11-15(18)20-13-8-6-12(7-9-13)16(2,3)4/h12-13H,5-11H2,1-4H3 |
| InChIKey | UWVDMDGKNIATPX-UHFFFAOYSA-N |
| SMILES | C(OC1CCC(C(C)(C)C)CC1)(CCC(OCC)=O)=O |