| SpectraBase Compound ID | 1sAYbIYTNb9 |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-14(2)13-21-17(19)11-10-16(18)20-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,14H,6,9,12-13H2,1-2H3/b11-10+ |
| InChIKey | PGDPZGKJQWHHQA-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 | 8SRm2CkVK3n |
|---|---|
| Name | Fumaric acid, isobutyl 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/c1-14(2)13-21-17(19)11-10-16(18)20-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,14H,6,9,12-13H2,1-2H3/b11-10+ |
| InChIKey | PGDPZGKJQWHHQA-ZHACJKMWSA-N |
| SMILES | C(\C=C\C(OCC(C)C)=O)(OCCCC1=CC=CC=C1)=O |