| SpectraBase Compound ID | BUTN5XPsBFL |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-2-3-13-20-16(18)11-12-17(19)21-14-7-10-15-8-5-4-6-9-15/h4-6,8-9,11-12H,2-3,7,10,13-14H2,1H3/b12-11+ |
| InChIKey | HPXHNWXMXAJOJA-VAWYXSNFSA-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 | GNwIgAyyryj |
|---|---|
| Name | Fumaric acid, butyl 3-phenylpropyl 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/c1-2-3-13-20-16(18)11-12-17(19)21-14-7-10-15-8-5-4-6-9-15/h4-6,8-9,11-12H,2-3,7,10,13-14H2,1H3/b12-11+ |
| InChIKey | HPXHNWXMXAJOJA-VAWYXSNFSA-N |
| SMILES | C(\C=C\C(OCCCC)=O)(OCCCC1=CC=CC=C1)=O |