| SpectraBase Compound ID | D7CEUwggxzg |
|---|---|
| InChI | InChI=1S/C22H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-21(23)16-17-22(24)27-20-19-25-2/h16-17H,3-15,18-20H2,1-2H3/b17-16+ |
| InChIKey | JQIKANJKGQBECV-WUKNDPDISA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C22H40O5 |
| Exact Mass | 384.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ApMRXMtgAc7 |
|---|---|
| Name | Fumaric acid, 2-methoxyethyl pentadcyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.287574383 u |
| Formula | C22H40O5 |
| InChI | InChI=1S/C22H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-21(23)16-17-22(24)27-20-19-25-2/h16-17H,3-15,18-20H2,1-2H3/b17-16+ |
| InChIKey | JQIKANJKGQBECV-WUKNDPDISA-N |
| Molecular Weight | 384.557 g/mol |
| SMILES | C(CCCCCOC(\C=C\C(OCCOC)=O)=O)CCCCCCCCC |