| SpectraBase Compound ID | 5uYp9ssxlhV |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-14(2)7-6-12-20-16(18)10-11-17(19)21-13-15-8-4-3-5-9-15/h10-11,14-15H,3-9,12-13H2,1-2H3/b11-10+ |
| InChIKey | BHOWBSBYWWUOOP-ZHACJKMWSA-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 | AlSHb0unH6R |
|---|---|
| Name | Fumaric acid, cyclohexylmethyl isohexyl 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/c1-14(2)7-6-12-20-16(18)10-11-17(19)21-13-15-8-4-3-5-9-15/h10-11,14-15H,3-9,12-13H2,1-2H3/b11-10+ |
| InChIKey | BHOWBSBYWWUOOP-ZHACJKMWSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C1C(CCCC1)COC(\C=C\C(OCCCC(C)C)=O)=O |