| SpectraBase Compound ID | KGsh6emF1Hf |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-4-7-9-10-11-12-13-14-15-16-20-26-22(24)18-19-23(25)27-21(6-3)17-8-5-2/h18-19,21H,4-17,20H2,1-3H3/b19-18+ |
| InChIKey | DDWPSXHFFOOIBM-VHEBQXMUSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C23H42O4 |
| Exact Mass | 382.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FYcA2dZbv0y |
|---|---|
| Name | Fumaric acid, dodecyl 3-heptyl 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/c1-4-7-9-10-11-12-13-14-15-16-20-26-22(24)18-19-23(25)27-21(6-3)17-8-5-2/h18-19,21H,4-17,20H2,1-3H3/b19-18+ |
| InChIKey | DDWPSXHFFOOIBM-VHEBQXMUSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(OC(CC)CCCC)(\C=C\C(OCCCCCCCCCCCC)=O)=O |