| SpectraBase Compound ID | UKLFXpUTKx |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-10(2)6-5-9-16-12(14)7-8-13(15)17-11(3)4/h7-8,10-11H,5-6,9H2,1-4H3/b8-7+ |
| InChIKey | GIWFPPSPKBWEOK-BQYQJAHWSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASFTDG2nuHn |
|---|---|
| Name | Fumaric acid, isohexyl isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-10(2)6-5-9-16-12(14)7-8-13(15)17-11(3)4/h7-8,10-11H,5-6,9H2,1-4H3/b8-7+ |
| InChIKey | GIWFPPSPKBWEOK-BQYQJAHWSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(CCOC(\C=C\C(=O)OC(C)C)=O)C(C)C |