| SpectraBase Compound ID | 6U4RunBc3aM |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-4-5-8-15-11(13)6-7-12(14)16-9-10(2)3/h6-7H,2,4-5,8-9H2,1,3H3/b7-6+ |
| InChIKey | UCOSFSUPSQAQQK-VOTSOKGWSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C12H18O4 |
| Exact Mass | 226.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JmV5zaODyqk |
|---|---|
| Name | Fumaric acid, butyl 2-methylallyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.120509056 u |
| Formula | C12H18O4 |
| InChI | InChI=1S/C12H18O4/c1-4-5-8-15-11(13)6-7-12(14)16-9-10(2)3/h6-7H,2,4-5,8-9H2,1,3H3/b7-6+ |
| InChIKey | UCOSFSUPSQAQQK-VOTSOKGWSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C(\C=C\C(OCC(=C)C)=O)(OCCCC)=O |