| SpectraBase Compound ID | 4y1NADRUZbJ |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-4-6-7-8-11-17-13(15)9-10-14(16)18-12(3)5-2/h2,9-10,12H,4,6-8,11H2,1,3H3/b10-9+ |
| InChIKey | MESWIHMONAADCB-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 | HK52mkF9c3s |
|---|---|
| Name | Fumaric acid, but-3-yn-2-yl hexyl 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/c1-4-6-7-8-11-17-13(15)9-10-14(16)18-12(3)5-2/h2,9-10,12H,4,6-8,11H2,1,3H3/b10-9+ |
| InChIKey | MESWIHMONAADCB-MDZDMXLPSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | CCCCCCOC(\C=C\C(OC(C#C)C)=O)=O |