| SpectraBase Compound ID | zaZ4L0zs55 |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-2-10-17-13(15)8-9-14(16)18-11-12-6-4-3-5-7-12/h3-4,8-9,12H,2,5-7,10-11H2,1H3/b9-8+ |
| InChIKey | WLQASBMTEUPIIA-CMDGGOBGSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C14H20O4 |
| Exact Mass | 252.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2SSMYHgb1Uj |
|---|---|
| Name | Fumaric acid, cyclohex-3-enylmethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.136159120 u |
| Formula | C14H20O4 |
| InChI | InChI=1S/C14H20O4/c1-2-10-17-13(15)8-9-14(16)18-11-12-6-4-3-5-7-12/h3-4,8-9,12H,2,5-7,10-11H2,1H3/b9-8+ |
| InChIKey | WLQASBMTEUPIIA-CMDGGOBGSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C1(CCC=CC1)COC(\C=C\C(=O)OCCC)=O |