| SpectraBase Compound ID | 7FNRaNi1qdk |
|---|---|
| InChI | InChI=1S/C15H26O4/c1-4-5-6-7-8-11-18-14(16)9-10-15(17)19-12-13(2)3/h9-10,13H,4-8,11-12H2,1-3H3/b10-9+ |
| InChIKey | XDUIKIMWJNAFQB-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 | E1s83A4E2at |
|---|---|
| Name | Fumaric acid, 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/c1-4-5-6-7-8-11-18-14(16)9-10-15(17)19-12-13(2)3/h9-10,13H,4-8,11-12H2,1-3H3/b10-9+ |
| InChIKey | XDUIKIMWJNAFQB-MDZDMXLPSA-N |
| Molecular Weight | 270.369 g/mol |
| SMILES | C(\C=C\C(OCCCCCCC)=O)(OCC(C)C)=O |