| SpectraBase Compound ID | G4ALaXsTvAF |
|---|---|
| InChI | InChI=1S/C17H20O4/c1-4-20-16(18)12-15(14-9-7-6-8-10-14)11-13(3)17(19)21-5-2/h6-10,12H,3-5,11H2,1-2H3/b15-12+ |
| InChIKey | PSHGLEOEIWNKFB-NTCAYCPXSA-N |
| Mol Weight | 288.34 g/mol |
| Molecular Formula | C17H20O4 |
| Exact Mass | 288.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DgFf2bb6QXp |
|---|---|
| Name | (E)-Diethyl 5-methylene-3-phenylhex-2-enedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.136159120 u |
| Formula | C17H20O4 |
| InChI | InChI=1S/C17H20O4/c1-4-20-16(18)12-15(14-9-7-6-8-10-14)11-13(3)17(19)21-5-2/h6-10,12H,3-5,11H2,1-2H3/b15-12+ |
| InChIKey | PSHGLEOEIWNKFB-NTCAYCPXSA-N |
| SMILES | C=1C=C(\C(CC(C(OCC)=O)=C)=C\C(OCC)=O)C=CC1 |