| SpectraBase Compound ID | Gt8cdWA0223 |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-24(26)20-19-23(25)27-21-4-2/h19-20H,3-18,21-22H2,1-2H3/b20-19+ |
| InChIKey | BYMDDWREAMYWSI-FMQUCBEESA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4bqYV6v3FkO |
|---|---|
| Name | Fumaric acid, heptadecyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.323959893 u |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-24(26)20-19-23(25)27-21-4-2/h19-20H,3-18,21-22H2,1-2H3/b20-19+ |
| InChIKey | BYMDDWREAMYWSI-FMQUCBEESA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | CCCOC(\C=C\C(OCCCCCCCCCCCCCCCCC)=O)=O |