| SpectraBase Compound ID | 4UelPCEFjng |
|---|---|
| InChI | InChI=1S/C12H20O5/c1-4-15-7-8-16-11(13)5-6-12(14)17-9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5+ |
| InChIKey | ADXBSJILSUUIDO-AATRIKPKSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C12H20O5 |
| Exact Mass | 244.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KzHITJRUZs8 |
|---|---|
| Name | Fumaric acid, 2-ethoxyethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.131073739 u |
| Formula | C12H20O5 |
| InChI | InChI=1S/C12H20O5/c1-4-15-7-8-16-11(13)5-6-12(14)17-9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5+ |
| InChIKey | ADXBSJILSUUIDO-AATRIKPKSA-N |
| Molecular Weight | 244.287 g/mol |
| SMILES | C(\C=C\C(OCC(C)C)=O)(OCCOCC)=O |