| SpectraBase Compound ID | 9XkspZj8S0u |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-23(25)19-20-24(26)28-22(2)3/h19-20,22H,4-18,21H2,1-3H3/b20-19+ |
| InChIKey | FNMADYVLDNJUBT-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 | 7a4iXPZ26sJ |
|---|---|
| Name | Fumaric acid, heptadecyl isopropyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-23(25)19-20-24(26)28-22(2)3/h19-20,22H,4-18,21H2,1-3H3/b20-19+ |
| InChIKey | FNMADYVLDNJUBT-FMQUCBEESA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | C(CCCCCCCCOC(\C=C\C(OC(C)C)=O)=O)CCCCCCCC |