| SpectraBase Compound ID | 6R0DyxscXAy |
|---|---|
| InChI | InChI=1S/C16H24O4/c1-4-7-8-9-13-19-15(17)11-12-16(18)20-14(6-3)10-5-2/h11-12,14H,4,6-9,13H2,1-3H3/b12-11+ |
| InChIKey | UJMVZDBZFLMZEF-VAWYXSNFSA-N |
| Mol Weight | 280.36 g/mol |
| Molecular Formula | C16H24O4 |
| Exact Mass | 280.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FR4mdsUAhsh |
|---|---|
| Name | Fumaric acid, hexyl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.167459249 u |
| Formula | C16H24O4 |
| InChI | InChI=1S/C16H24O4/c1-4-7-8-9-13-19-15(17)11-12-16(18)20-14(6-3)10-5-2/h11-12,14H,4,6-9,13H2,1-3H3/b12-11+ |
| InChIKey | UJMVZDBZFLMZEF-VAWYXSNFSA-N |
| SMILES | C(\C=C\C(OCCCCCC)=O)(OC(C#CC)CC)=O |