| SpectraBase Compound ID | 4QOOq00soYW |
|---|---|
| InChI | InChI=1S/C17H26O4/c1-4-7-8-9-10-14-20-16(18)12-13-17(19)21-15(6-3)11-5-2/h12-13,15H,4,6-10,14H2,1-3H3/b13-12+ |
| InChIKey | VNLWZLJXEJRJCD-OUKQBFOZSA-N |
| Mol Weight | 294.39 g/mol |
| Molecular Formula | C17H26O4 |
| Exact Mass | 294.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5Ouo1lAECv |
|---|---|
| Name | Fumaric acid, heptyl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.183109313 u |
| Formula | C17H26O4 |
| InChI | InChI=1S/C17H26O4/c1-4-7-8-9-10-14-20-16(18)12-13-17(19)21-15(6-3)11-5-2/h12-13,15H,4,6-10,14H2,1-3H3/b13-12+ |
| InChIKey | VNLWZLJXEJRJCD-OUKQBFOZSA-N |
| SMILES | C(\C=C\C(OC(C#CC)CC)=O)(OCCCCCCC)=O |