![2H-Pyran-2-one, 5,6-dihydro-6-(3-oxo-1-butenyl)-, [R-(E)]-](/api/spectrum/FlUEfZerZSC/structure.png?h=300&w=458 "2H-Pyran-2-one, 5,6-dihydro-6-(3-oxo-1-butenyl)-, [R-(E)]-")
| SpectraBase Compound ID | JFGAEmKaPQo |
|---|---|
| InChI | InChI=1S/C9H10O3/c1-7(10)5-6-8-3-2-4-9(11)12-8/h2,4-6,8H,3H2,1H3/b6-5+/t8-/m1/s1 |
| InChIKey | VDZILYGLKXGVSS-HQZHTGGTSA-N |
| Mol Weight | 166.18 g/mol |
| Molecular Formula | C9H10O3 |
| Exact Mass | 166.062994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FlUEfZerZSC |
|---|---|
| Name | 2H-Pyran-2-one, 5,6-dihydro-6-(3-oxo-1-butenyl)-, [R-(E)]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.062994179 u |
| Formula | C9H10O3 |
| InChI | InChI=1S/C9H10O3/c1-7(10)5-6-8-3-2-4-9(11)12-8/h2,4-6,8H,3H2,1H3/b6-5+/t8-/m1/s1 |
| InChIKey | VDZILYGLKXGVSS-HQZHTGGTSA-N |
| SMILES | C1(O[C@@](\C=C\C(=O)C)(CC=C1)[H])=O |