| SpectraBase Compound ID | 678cghTbG4G |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-7-19(8-2)13-15-21(11-5)27-23(25)17-18-24(26)28-22(12-6)16-14-20(9-3)10-4/h17-22H,7-16H2,1-6H3/b18-17+ |
| InChIKey | KZHSBIAHPSIBFO-ISLYRVAYSA-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 | 9WYv5Kxj0FJ |
|---|---|
| Name | Fumaric acid, di(6-ethyloct-3-yl) 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/c1-7-19(8-2)13-15-21(11-5)27-23(25)17-18-24(26)28-22(12-6)16-14-20(9-3)10-4/h17-22H,7-16H2,1-6H3/b18-17+ |
| InChIKey | KZHSBIAHPSIBFO-ISLYRVAYSA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | C(CCC(OC(\C=C\C(OC(CCC(CC)CC)CC)=O)=O)CC)(CC)CC |