| SpectraBase Compound ID | XH6dl39aaz |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-4-5-6-7-8-9-10-11-12-13-17-24-20(22)14-15-21(23)25-18-16-19(2)3/h14-15H,2,4-13,16-18H2,1,3H3/b15-14+ |
| InChIKey | DTCZUGWZQZXGMM-CCEZHUSRSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2H2kbnPhQ0O |
|---|---|
| Name | Fumaric acid, dodecyl 3-methylbut-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-4-5-6-7-8-9-10-11-12-13-17-24-20(22)14-15-21(23)25-18-16-19(2)3/h14-15H,2,4-13,16-18H2,1,3H3/b15-14+ |
| InChIKey | DTCZUGWZQZXGMM-CCEZHUSRSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | CC(=C)CCOC(\C=C\C(OCCCCCCCCCCCC)=O)=O |