| SpectraBase Compound ID | 5eozr8reTBp |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-5-12-20-15(18)10-11-16(19)21-14-8-6-13(7-9-14)17(2,3)4/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+ |
| InChIKey | QJPIEINJGXGKRM-ZHACJKMWSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3LMhl9va9v8 |
|---|---|
| Name | Fumaric acid, propyl trans-4-tert-butylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-5-12-20-15(18)10-11-16(19)21-14-8-6-13(7-9-14)17(2,3)4/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+ |
| InChIKey | QJPIEINJGXGKRM-ZHACJKMWSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C1(CCC(CC1)OC(\C=C\C(=O)OCCC)=O)C(C)(C)C |