| SpectraBase Compound ID | FmJTnjTBUAl |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-4-7-14-8-5-6-9-15(14)21-17(19)11-10-16(18)20-12-13(2)3/h5-6,8-11,13H,4,7,12H2,1-3H3/b11-10+ |
| InChIKey | DEKPJOQHODOEHC-ZHACJKMWSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LppFYGhKL3L |
|---|---|
| Name | Fumaric acid, isobutyl 2-propylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-4-7-14-8-5-6-9-15(14)21-17(19)11-10-16(18)20-12-13(2)3/h5-6,8-11,13H,4,7,12H2,1-3H3/b11-10+ |
| InChIKey | DEKPJOQHODOEHC-ZHACJKMWSA-N |
| SMILES | CCCC1=C(OC(\C=C\C(OCC(C)C)=O)=O)C=CC=C1 |