| SpectraBase Compound ID | 2DOTqyFntMA |
|---|---|
| InChI | InChI=1S/C15H26O5/c1-4-5-6-10-19-14(16)7-8-15(17)20-12-13(2)9-11-18-3/h7-8,13H,4-6,9-12H2,1-3H3/b8-7+ |
| InChIKey | CNCBOYSQXAQQRN-BQYQJAHWSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C15H26O5 |
| Exact Mass | 286.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jx4NzMuRaVM |
|---|---|
| Name | Fumaric acid, 2-methyl-4-methoxybutyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.178023932 u |
| Formula | C15H26O5 |
| InChI | InChI=1S/C15H26O5/c1-4-5-6-10-19-14(16)7-8-15(17)20-12-13(2)9-11-18-3/h7-8,13H,4-6,9-12H2,1-3H3/b8-7+ |
| InChIKey | CNCBOYSQXAQQRN-BQYQJAHWSA-N |
| SMILES | CCCCCOC(\C=C\C(OCC(CCOC)C)=O)=O |