![5-Hexenoic acid, 6-[p-chlorophenyl]-2,4-dioxo-, ethyl ester](/api/spectrum/BJJ3xYUgHpy/structure.png?h=300&w=458 "5-Hexenoic acid, 6-[p-chlorophenyl]-2,4-dioxo-, ethyl ester")
| SpectraBase Compound ID | 5l20tQ0p40B |
|---|---|
| InChI | InChI=1S/C14H13ClO4/c1-2-19-14(18)13(17)9-12(16)8-5-10-3-6-11(15)7-4-10/h3-8H,2,9H2,1H3/b8-5+ |
| InChIKey | RZOKOCSANAWZCH-VMPITWQZSA-N |
| Mol Weight | 280.71 g/mol |
| Molecular Formula | C14H13ClO4 |
| Exact Mass | 280.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJJ3xYUgHpy |
|---|---|
| Name | 5-Hexenoic acid, 6-[p-chlorophenyl]-2,4-dioxo-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.050236595 u |
| Formula | C14H13ClO4 |
| InChI | InChI=1S/C14H13ClO4/c1-2-19-14(18)13(17)9-12(16)8-5-10-3-6-11(15)7-4-10/h3-8H,2,9H2,1H3/b8-5+ |
| InChIKey | RZOKOCSANAWZCH-VMPITWQZSA-N |
| SMILES | C1=C(C=CC(=C1)Cl)\C=C\C(CC(C(OCC)=O)=O)=O |