| SpectraBase Compound ID | BHpcjJKAlq6 |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-8(2)7-14-10(12)5-6-11(13)15-9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+ |
| InChIKey | LACYJSOAGUDVKR-AATRIKPKSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6y0p2ny4MD1 |
|---|---|
| Name | Fumaric acid, isobutyl isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-8(2)7-14-10(12)5-6-11(13)15-9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+ |
| InChIKey | LACYJSOAGUDVKR-AATRIKPKSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | CC(C)OC(\C=C\C(OCC(C)C)=O)=O |