| SpectraBase Compound ID | rcqme6LLns |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-4-6-10(3)16-12(14)8-7-11(13)15-9-5-2/h4,7-8,10H,1,5-6,9H2,2-3H3/b8-7+ |
| InChIKey | FFCNSQCGMWSGEA-BQYQJAHWSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C12H18O4 |
| Exact Mass | 226.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9FWCcsL3gHS |
|---|---|
| Name | Fumaric acid, pent-4-en-2-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.120509056 u |
| Formula | C12H18O4 |
| InChI | InChI=1S/C12H18O4/c1-4-6-10(3)16-12(14)8-7-11(13)15-9-5-2/h4,7-8,10H,1,5-6,9H2,2-3H3/b8-7+ |
| InChIKey | FFCNSQCGMWSGEA-BQYQJAHWSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C=CCC(OC(\C=C\C(OCCC)=O)=O)C |