| SpectraBase Compound ID | J8IfvqWoNyi |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-12(2)10-18-14(16)8-9-15(17)19-11-13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8+ |
| InChIKey | NDMZZLWGQUIHCG-CMDGGOBGSA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C15H24O4 |
| Exact Mass | 268.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hIN7Pbhvb1 |
|---|---|
| Name | Fumaric acid, cyclohexylmethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.167459249 u |
| Formula | C15H24O4 |
| InChI | InChI=1S/C15H24O4/c1-12(2)10-18-14(16)8-9-15(17)19-11-13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8+ |
| InChIKey | NDMZZLWGQUIHCG-CMDGGOBGSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | C1(CCCCC1)COC(\C=C\C(OCC(C)C)=O)=O |