| SpectraBase Compound ID | 7ROrrqDJQrV |
|---|---|
| InChI | InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-22(24)17-18-23(25)28-21-20-26-2/h17-18H,3-16,19-21H2,1-2H3/b18-17+ |
| InChIKey | NMHZULAXQMKVAI-ISLYRVAYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C23H42O5 |
| Exact Mass | 398.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 56dOJLJnoET |
|---|---|
| Name | Fumaric acid, hexadecyl 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.303224447 u |
| Formula | C23H42O5 |
| InChI | InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-22(24)17-18-23(25)28-21-20-26-2/h17-18H,3-16,19-21H2,1-2H3/b18-17+ |
| InChIKey | NMHZULAXQMKVAI-ISLYRVAYSA-N |
| Molecular Weight | 398.584 g/mol |
| SMILES | CCCCCCCCCCCCCCCCOC(\C=C\C(OCCOC)=O)=O |