| SpectraBase Compound ID | CwVOsDrdKuo |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-2-3-12-19-15(17)9-10-16(18)20-13-11-14-7-5-4-6-8-14/h4-10H,2-3,11-13H2,1H3/b10-9+ |
| InChIKey | JTQDWZAEPPVJBP-MDZDMXLPSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C16H20O4 |
| Exact Mass | 276.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9CPzZgvgTWT |
|---|---|
| Name | Fumaric acid, butyl 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.136159120 u |
| Formula | C16H20O4 |
| InChI | InChI=1S/C16H20O4/c1-2-3-12-19-15(17)9-10-16(18)20-13-11-14-7-5-4-6-8-14/h4-10H,2-3,11-13H2,1H3/b10-9+ |
| InChIKey | JTQDWZAEPPVJBP-MDZDMXLPSA-N |
| SMILES | C(\C=C\C(OCCC1=CC=CC=C1)=O)(OCCCC)=O |