| SpectraBase Compound ID | IdQwux26Tlf |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-11(2)10-17-13(15)8-9-14(16)18-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3/b9-8+ |
| InChIKey | CNKATKALHSIDQP-CMDGGOBGSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDhhvu8oD5k |
|---|---|
| Name | Fumaric acid, cyclohexyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-11(2)10-17-13(15)8-9-14(16)18-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3/b9-8+ |
| InChIKey | CNKATKALHSIDQP-CMDGGOBGSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C1(CCCCC1)OC(\C=C\C(OCC(C)C)=O)=O |