| SpectraBase Compound ID | JgckupYd16v |
|---|---|
| InChI | InChI=1S/C17H26O4/c1-5-7-8-9-10-15(6-2)21-17(19)12-11-16(18)20-13-14(3)4/h11-12,14-15H,5-7,10,13H2,1-4H3/b12-11+ |
| InChIKey | LOXZPNIVOUQMBA-VAWYXSNFSA-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 | AD2PW1RccCw |
|---|---|
| Name | Fumaric acid, isobutyl non-5-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/c1-5-7-8-9-10-15(6-2)21-17(19)12-11-16(18)20-13-14(3)4/h11-12,14-15H,5-7,10,13H2,1-4H3/b12-11+ |
| InChIKey | LOXZPNIVOUQMBA-VAWYXSNFSA-N |
| SMILES | C(\C=C\C(OC(CC#CCCC)CC)=O)(OCC(C)C)=O |