![(R)-6-[(E)-2-(4-Nitrophenyl)ethenyl]-5,6-dihydro-2H-pyran-2-one](/api/spectrum/JdlsfaeRDL7/structure.png?h=300&w=458 "(R)-6-[(E)-2-(4-Nitrophenyl)ethenyl]-5,6-dihydro-2H-pyran-2-one")
| SpectraBase Compound ID | DQnxFddvd9t |
|---|---|
| InChI | InChI=1S/C13H11NO4/c15-13-3-1-2-12(18-13)9-6-10-4-7-11(8-5-10)14(16)17/h1,3-9,12H,2H2/b9-6+/t12-/m1/s1 |
| InChIKey | UANUUUGGDKRWDE-UVMWJGKXSA-N |
| Mol Weight | 245.23 g/mol |
| Molecular Formula | C13H11NO4 |
| Exact Mass | 245.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JdlsfaeRDL7 |
|---|---|
| Name | (R)-6-[(E)-2-(4-Nitrophenyl)ethenyl]-5,6-dihydro-2H-pyran-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.068807834 u |
| Formula | C13H11NO4 |
| InChI | InChI=1S/C13H11NO4/c15-13-3-1-2-12(18-13)9-6-10-4-7-11(8-5-10)14(16)17/h1,3-9,12H,2H2/b9-6+/t12-/m1/s1 |
| InChIKey | UANUUUGGDKRWDE-UVMWJGKXSA-N |
| Molecular Weight | 245.234 g/mol |
| SMILES | C=1(N(=O)=O)C=CC(\C=C\[C@@]2(OC(=O)C=CC2)[H])=CC1 |