| SpectraBase Compound ID | PMclFyNnQO |
|---|---|
| InChI | InChI=1S/C21H38O5/c1-4-6-8-10-13-19(14-12-17-24-3)26-21(23)16-15-20(22)25-18-11-9-7-5-2/h15-16,19H,4-14,17-18H2,1-3H3/b16-15+ |
| InChIKey | UXNQJIVOGDJPHY-FOCLMDBBSA-N |
| Mol Weight | 370.5 g/mol |
| Molecular Formula | C21H38O5 |
| Exact Mass | 370.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AEhWnsdrP61 |
|---|---|
| Name | Fumaric acid, hexyl 1-methoxydec-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.271924319 u |
| Formula | C21H38O5 |
| InChI | InChI=1S/C21H38O5/c1-4-6-8-10-13-19(14-12-17-24-3)26-21(23)16-15-20(22)25-18-11-9-7-5-2/h15-16,19H,4-14,17-18H2,1-3H3/b16-15+ |
| InChIKey | UXNQJIVOGDJPHY-FOCLMDBBSA-N |
| Molecular Weight | 370.530 g/mol |
| SMILES | CCCCCCOC(\C=C\C(OC(CCCOC)CCCCCC)=O)=O |