| SpectraBase Compound ID | 8r5nDRYkgcw |
|---|---|
| InChI | InChI=1S/C14H24O4/c1-5-7-12(6-2)18-14(16)9-8-13(15)17-10-11(3)4/h8-9,11-12H,5-7,10H2,1-4H3/b9-8+ |
| InChIKey | WSNXHOZHEYWWMI-CMDGGOBGSA-N |
| Mol Weight | 256.34 g/mol |
| Molecular Formula | C14H24O4 |
| Exact Mass | 256.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LXyVeK5aB5r |
|---|---|
| Name | Fumaric acid, 3-hexyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.167459249 u |
| Formula | C14H24O4 |
| InChI | InChI=1S/C14H24O4/c1-5-7-12(6-2)18-14(16)9-8-13(15)17-10-11(3)4/h8-9,11-12H,5-7,10H2,1-4H3/b9-8+ |
| InChIKey | WSNXHOZHEYWWMI-CMDGGOBGSA-N |
| Molecular Weight | 256.342 g/mol |
| SMILES | C(OC(CC)CCC)(\C=C\C(OCC(C)C)=O)=O |