| SpectraBase Compound ID | EC93oETbAdm |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-4-5-6-9-20-16(18)7-8-17(19)21-15-11-13(2)10-14(3)12-15/h7-8,13-15H,4-6,9-12H2,1-3H3/b8-7+ |
| InChIKey | YBMJHSBWVYRPNO-BQYQJAHWSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 58xt62BdN2x |
|---|---|
| Name | Fumaric acid, 3,5-dimethylcyclohexyl pentyl 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/c1-4-5-6-9-20-16(18)7-8-17(19)21-15-11-13(2)10-14(3)12-15/h7-8,13-15H,4-6,9-12H2,1-3H3/b8-7+ |
| InChIKey | YBMJHSBWVYRPNO-BQYQJAHWSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(OC1CC(CC(C1)C)C)(\C=C\C(OCCCCC)=O)=O |