| SpectraBase Compound ID | GkCWP5yCDUu |
|---|---|
| InChI | InChI=1S/C20H36O5/c1-4-6-8-9-12-18(13-11-16-23-3)25-20(22)15-14-19(21)24-17-10-7-5-2/h14-15,18H,4-13,16-17H2,1-3H3/b15-14+ |
| InChIKey | YGDVPZDWQDPUKM-CCEZHUSRSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C20H36O5 |
| Exact Mass | 356.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4EvFaKfl7Tu |
|---|---|
| Name | Fumaric acid, 1-methoxydec-4-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.256274254 u |
| Formula | C20H36O5 |
| InChI | InChI=1S/C20H36O5/c1-4-6-8-9-12-18(13-11-16-23-3)25-20(22)15-14-19(21)24-17-10-7-5-2/h14-15,18H,4-13,16-17H2,1-3H3/b15-14+ |
| InChIKey | YGDVPZDWQDPUKM-CCEZHUSRSA-N |
| Molecular Weight | 356.503 g/mol |
| SMILES | C(\C=C\C(OCCCCC)=O)(OC(CCCOC)CCCCCC)=O |