![1,3,5-Hexanetrione 1-[p-chlorophenyl]-](/api/spectrum/Df4Eaa7J1EX/structure.png?h=300&w=458 "1,3,5-Hexanetrione 1-[p-chlorophenyl]-")
| SpectraBase Compound ID | F4pGCIoRwUt |
|---|---|
| InChI | InChI=1S/C12H11ClO3/c1-8(14)6-11(15)7-12(16)9-2-4-10(13)5-3-9/h2-5H,6-7H2,1H3 |
| InChIKey | FLWUBJYHFCGRRD-UHFFFAOYSA-N |
| Mol Weight | 238.67 g/mol |
| Molecular Formula | C12H11ClO3 |
| Exact Mass | 238.039672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Df4Eaa7J1EX |
|---|---|
| Name | 1,3,5-Hexanetrione 1-[p-chlorophenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.039671911 u |
| Formula | C12H11ClO3 |
| InChI | InChI=1S/C12H11ClO3/c1-8(14)6-11(15)7-12(16)9-2-4-10(13)5-3-9/h2-5H,6-7H2,1H3 |
| InChIKey | FLWUBJYHFCGRRD-UHFFFAOYSA-N |
| Molecular Weight | 238.670 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)C(CC(CC(=O)C)=O)=O |