| SpectraBase Compound ID | C2NvJu1cJLy |
|---|---|
| InChI | InChI=1S/C18H22O4/c1-15(2)12-14-22-18(20)11-10-17(19)21-13-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-12H,6,9,13-14H2,1-2H3/b11-10+ |
| InChIKey | UTNFDMGXEPZAMD-ZHACJKMWSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C18H22O4 |
| Exact Mass | 302.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kl4zohYnwgu |
|---|---|
| Name | Fumaric acid, 3-phenylpropyl 3-methylbut-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.151809184 u |
| Formula | C18H22O4 |
| InChI | InChI=1S/C18H22O4/c1-15(2)12-14-22-18(20)11-10-17(19)21-13-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-12H,6,9,13-14H2,1-2H3/b11-10+ |
| InChIKey | UTNFDMGXEPZAMD-ZHACJKMWSA-N |
| SMILES | C(\C=C\C(OCC=C(C)C)=O)(OCCCC1=CC=CC=C1)=O |