| SpectraBase Compound ID | KxAWpsfCxrs |
|---|---|
| InChI | InChI=1S/C14H24O4/c1-4-5-6-7-10-17-13(15)8-9-14(16)18-11-12(2)3/h8-9,12H,4-7,10-11H2,1-3H3/b9-8+ |
| InChIKey | ABAIWFPHWQAGMZ-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 | HNHG89AhYJR |
|---|---|
| Name | Fumaric acid, 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/c1-4-5-6-7-10-17-13(15)8-9-14(16)18-11-12(2)3/h8-9,12H,4-7,10-11H2,1-3H3/b9-8+ |
| InChIKey | ABAIWFPHWQAGMZ-CMDGGOBGSA-N |
| Molecular Weight | 256.342 g/mol |
| SMILES | C(\C=C\C(OCCCCCC)=O)(OCC(C)C)=O |