| SpectraBase Compound ID | 6ZHsQFodNcd |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-3-5-7-9-10-11-12-13-14-15-17-21-27-23(25)19-18-22(24)26-20-16-8-6-4-2/h18-19H,3-17,20-21H2,1-2H3/b19-18+ |
| InChIKey | XNVRCUAYIWBAMH-VHEBQXMUSA-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 | 4IrpOMG5vnJ |
|---|---|
| Name | Fumaric acid, hexyl tridecyl 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/c1-3-5-7-9-10-11-12-13-14-15-17-21-27-23(25)19-18-22(24)26-20-16-8-6-4-2/h18-19H,3-17,20-21H2,1-2H3/b19-18+ |
| InChIKey | XNVRCUAYIWBAMH-VHEBQXMUSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(\C=C\C(OCCCCCC)=O)(OCCCCCCCCCCCCC)=O |