| SpectraBase Compound ID | K5BmhcO1ILh |
|---|---|
| InChI | InChI=1S/C15H26O4/c1-5-7-8-13(6-2)19-15(17)10-9-14(16)18-11-12(3)4/h9-10,12-13H,5-8,11H2,1-4H3/b10-9+ |
| InChIKey | FQFAEPRUWZFJGU-MDZDMXLPSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C15H26O4 |
| Exact Mass | 270.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IETLHCSbcGq |
|---|---|
| Name | Fumaric acid, 3-heptyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.183109313 u |
| Formula | C15H26O4 |
| InChI | InChI=1S/C15H26O4/c1-5-7-8-13(6-2)19-15(17)10-9-14(16)18-11-12(3)4/h9-10,12-13H,5-8,11H2,1-4H3/b10-9+ |
| InChIKey | FQFAEPRUWZFJGU-MDZDMXLPSA-N |
| Molecular Weight | 270.369 g/mol |
| SMILES | C(OC(CC)CCCC)(\C=C\C(OCC(C)C)=O)=O |