| SpectraBase Compound ID | LRXj2laN9zp |
|---|---|
| InChI | InChI=1S/C14H24O5/c1-11(2)9-18-13(15)5-6-14(16)19-10-12(3)7-8-17-4/h5-6,11-12H,7-10H2,1-4H3/b6-5+ |
| InChIKey | MWRJIKYCWIDGTP-AATRIKPKSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C14H24O5 |
| Exact Mass | 272.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItjVMj1jCV |
|---|---|
| Name | Fumaric acid, isobutyl 2-methyl-4-methoxybutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.162373868 u |
| Formula | C14H24O5 |
| InChI | InChI=1S/C14H24O5/c1-11(2)9-18-13(15)5-6-14(16)19-10-12(3)7-8-17-4/h5-6,11-12H,7-10H2,1-4H3/b6-5+ |
| InChIKey | MWRJIKYCWIDGTP-AATRIKPKSA-N |
| Molecular Weight | 272.341 g/mol |
| SMILES | C(COC(\C=C\C(=O)OCC(C)C)=O)(CCOC)C |