| SpectraBase Compound ID | 98muFjG6SfW |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-23(25)20-19-22(24)26-4-2/h19-20H,3-18,21H2,1-2H3/b20-19+ |
| InChIKey | OFCNOXMJTZVAMO-FMQUCBEESA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C23H42O4 |
| Exact Mass | 382.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6kjVlFz2A6s |
|---|---|
| Name | Fumaric acid, ethyl heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.308309828 u |
| Formula | C23H42O4 |
| InChI | InChI=1S/C23H42O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-23(25)20-19-22(24)26-4-2/h19-20H,3-18,21H2,1-2H3/b20-19+ |
| InChIKey | OFCNOXMJTZVAMO-FMQUCBEESA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | CCOC(\C=C\C(OCCCCCCCCCCCCCCCCC)=O)=O |