| SpectraBase Compound ID | B1SlvkrVuPW |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,10H,1,7-8H2,2-4H3/b6-5+ |
| InChIKey | XEGIFGYMVVHDBP-AATRIKPKSA-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 | FDRJPxPn371 |
|---|---|
| Name | Fumaric acid, isobutyl 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/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,10H,1,7-8H2,2-4H3/b6-5+ |
| InChIKey | XEGIFGYMVVHDBP-AATRIKPKSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C(\C=C\C(OCC(=C)C)=O)(OCC(C)C)=O |