| SpectraBase Compound ID | JzvS35PL4y1 |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-2-12-19-15(17)10-11-16(18)20-13-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11H,2,6,9,12-13H2,1H3/b11-10+ |
| InChIKey | ICZZCJPTSWFEEX-ZHACJKMWSA-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 | BX4jA7JwZEd |
|---|---|
| Name | Fumaric acid, 3-phenylpropyl propyl 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/c1-2-12-19-15(17)10-11-16(18)20-13-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11H,2,6,9,12-13H2,1H3/b11-10+ |
| InChIKey | ICZZCJPTSWFEEX-ZHACJKMWSA-N |
| SMILES | C(\C=C\C(OCCC)=O)(OCCCC1=CC=CC=C1)=O |