| SpectraBase Compound ID | 9wOMtVsjALe |
|---|---|
| InChI | InChI=1S/C21H38O5/c1-4-5-6-7-8-9-10-11-12-16-25-20(22)13-14-21(23)26-18-19(2)15-17-24-3/h13-14,19H,4-12,15-18H2,1-3H3/b14-13+ |
| InChIKey | PJAGCHZGZMFFEY-BUHFOSPRSA-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 | DCc9RA8FfP |
|---|---|
| Name | Fumaric acid, 2-methyl-4-methoxybutyl undecyl 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/c1-4-5-6-7-8-9-10-11-12-16-25-20(22)13-14-21(23)26-18-19(2)15-17-24-3/h13-14,19H,4-12,15-18H2,1-3H3/b14-13+ |
| InChIKey | PJAGCHZGZMFFEY-BUHFOSPRSA-N |
| Molecular Weight | 370.530 g/mol |
| SMILES | C(\C=C\C(OCC(CCOC)C)=O)(OCCCCCCCCCCC)=O |