| SpectraBase Compound ID | 3ZJoitls6j0 |
|---|---|
| InChI | InChI=1S/C13H22O5/c1-3-4-5-6-9-17-12(14)7-8-13(15)18-11-10-16-2/h7-8H,3-6,9-11H2,1-2H3/b8-7+ |
| InChIKey | KNJHNSBAQLUITO-BQYQJAHWSA-N |
| Mol Weight | 258.31 g/mol |
| Molecular Formula | C13H22O5 |
| Exact Mass | 258.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3HXYmtNcyiq |
|---|---|
| Name | Fumaric acid, hexyl 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.146723803 u |
| Formula | C13H22O5 |
| InChI | InChI=1S/C13H22O5/c1-3-4-5-6-9-17-12(14)7-8-13(15)18-11-10-16-2/h7-8H,3-6,9-11H2,1-2H3/b8-7+ |
| InChIKey | KNJHNSBAQLUITO-BQYQJAHWSA-N |
| Molecular Weight | 258.314 g/mol |
| SMILES | CCCCCCOC(\C=C\C(OCCOC)=O)=O |