| SpectraBase Compound ID | 2oaEh5rdmr4 |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-4-5-6-7-8-12-19-15(17)9-10-16(18)20-13-11-14(2)3/h9-11H,4-8,12-13H2,1-3H3/b10-9+ |
| InChIKey | SSZSCSKJTBJWJH-MDZDMXLPSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6cYoh0XqkCG |
|---|---|
| Name | Fumaric acid, heptyl 3-methylbut-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-4-5-6-7-8-12-19-15(17)9-10-16(18)20-13-11-14(2)3/h9-11H,4-8,12-13H2,1-3H3/b10-9+ |
| InChIKey | SSZSCSKJTBJWJH-MDZDMXLPSA-N |
| SMILES | C(COC(\C=C\C(OCCCCCCC)=O)=O)=C(C)C |