| SpectraBase Compound ID | CLAfozv7YqR |
|---|---|
| InChI | InChI=1S/C17H20O4/c1-3-20-17(19)12(2)9-10-14-11-15(18)21-16(14)13-7-5-4-6-8-13/h4-8,14,16H,2-3,9-11H2,1H3/t14-,16+/m0/s1 |
| InChIKey | HWTBSOJARRKCFJ-GOEBONIOSA-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 | CBkyNtqpqko |
|---|---|
| Name | Trans-4-(3-carbethoxy-3-butenyl)-5-phenyltetrahydrofuran-2-one |
| 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/c1-3-20-17(19)12(2)9-10-14-11-15(18)21-16(14)13-7-5-4-6-8-13/h4-8,14,16H,2-3,9-11H2,1H3/t14-,16+/m0/s1 |
| InChIKey | HWTBSOJARRKCFJ-GOEBONIOSA-N |
| SMILES | C1(O[C@@]([C@](C1)(CCC(C(=O)OCC)=C)[H])(C1=CC=CC=C1)[H])=O |