| SpectraBase Compound ID | 5NRetXOQkfy |
|---|---|
| InChI | InChI=1S/C15H22O4/c1-2-3-11-18-14(16)9-10-15(17)19-12-13-7-5-4-6-8-13/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3/b10-9+ |
| InChIKey | KPECLZMFZRENAS-MDZDMXLPSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C15H22O4 |
| Exact Mass | 266.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1tWCWp6Km2q |
|---|---|
| Name | Fumaric acid, butyl cyclohex-3-enylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.151809184 u |
| Formula | C15H22O4 |
| InChI | InChI=1S/C15H22O4/c1-2-3-11-18-14(16)9-10-15(17)19-12-13-7-5-4-6-8-13/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3/b10-9+ |
| InChIKey | KPECLZMFZRENAS-MDZDMXLPSA-N |
| Molecular Weight | 266.337 g/mol |
| SMILES | C1=CCCC(C1)COC(\C=C\C(OCCCC)=O)=O |