![1,3-Dioxane-4,6-dione, 5-[(2-chlorophenyl)methylene]-2,2-dimethyl-](/api/spectrum/JzkSwMv7vkt/structure.png?h=300&w=458 "1,3-Dioxane-4,6-dione, 5-[(2-chlorophenyl)methylene]-2,2-dimethyl-")
| SpectraBase Compound ID | LCJJCE1myGC |
|---|---|
| InChI | InChI=1S/C13H11ClO4/c1-13(2)17-11(15)9(12(16)18-13)7-8-5-3-4-6-10(8)14/h3-7H,1-2H3 |
| InChIKey | NUHDRLKVOVWUTD-UHFFFAOYSA-N |
| Mol Weight | 266.68 g/mol |
| Molecular Formula | C13H11ClO4 |
| Exact Mass | 266.034587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzkSwMv7vkt |
|---|---|
| Name | 1,3-Dioxane-4,6-dione, 5-[(2-chlorophenyl)methylene]-2,2-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.034586530 u |
| Formula | C13H11ClO4 |
| InChI | InChI=1S/C13H11ClO4/c1-13(2)17-11(15)9(12(16)18-13)7-8-5-3-4-6-10(8)14/h3-7H,1-2H3 |
| InChIKey | NUHDRLKVOVWUTD-UHFFFAOYSA-N |
| Molecular Weight | 266.680 g/mol |
| SMILES | C1(C(OC(OC1=O)(C)C)=O)=CC=1C(Cl)=CC=CC1 |