| SpectraBase Compound ID | KNGA0uYuYwb |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-3-5-6-7-8-12-18-14(16)10-9-13(15)17-11-4-2/h2,9-10H,3,5-8,11-12H2,1H3/b10-9+ |
| InChIKey | NWFDPVRKUNAXFT-MDZDMXLPSA-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 | DrtKNvgEwvc |
|---|---|
| Name | Fumaric acid, heptyl propargyl 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/c1-3-5-6-7-8-12-18-14(16)10-9-13(15)17-11-4-2/h2,9-10H,3,5-8,11-12H2,1H3/b10-9+ |
| InChIKey | NWFDPVRKUNAXFT-MDZDMXLPSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C(\C=C\C(OCC#C)=O)(OCCCCCCC)=O |