| SpectraBase Compound ID | 8JkfT3OjB6d |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-13(2)6-5-9-21-17(19)7-8-18(20)22-16-11-14(3)10-15(4)12-16/h7-8,13-16H,5-6,9-12H2,1-4H3/b8-7+ |
| InChIKey | OWKOVQMZXWOUBO-BQYQJAHWSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9cmdzlPEci |
|---|---|
| Name | Fumaric acid, 3,5-dimethylcyclohexyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-13(2)6-5-9-21-17(19)7-8-18(20)22-16-11-14(3)10-15(4)12-16/h7-8,13-16H,5-6,9-12H2,1-4H3/b8-7+ |
| InChIKey | OWKOVQMZXWOUBO-BQYQJAHWSA-N |
| SMILES | CC(C)CCCOC(\C=C\C(OC1CC(CC(C1)C)C)=O)=O |