| SpectraBase Compound ID | KaDB8UJfnIH |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-4-9-14(13-10-7-6-8-11-13)15(12-16(18)20-3)17(19)21-5-2/h6-11,15H,4-5,12H2,1-3H3/b14-9- |
| InChIKey | FSEWJOVJERFCCG-ZROIWOOFSA-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 | 9z0B7B8fwXf |
|---|---|
| Name | (E)-1-Ethyl 4-methyl 2-(1-phenylbut-1-enyl)succinate |
| 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/c1-4-9-14(13-10-7-6-8-11-13)15(12-16(18)20-3)17(19)21-5-2/h6-11,15H,4-5,12H2,1-3H3/b14-9- |
| InChIKey | FSEWJOVJERFCCG-ZROIWOOFSA-N |
| SMILES | C(\C(C=1C=CC=CC1)=C/CC)(C(=O)OCC)CC(=O)OC |