![2,2-Dimethyl-5-{[(4-iodophenyl)amino]methylene}-1,3-dioxane-4,6-dione](/api/spectrum/K89WSE8vV7M/structure.png?h=300&w=458 "2,2-Dimethyl-5-{[(4-iodophenyl)amino]methylene}-1,3-dioxane-4,6-dione")
| SpectraBase Compound ID | EwsbSK4OY6E |
|---|---|
| InChI | InChI=1S/C13H12INO4/c1-13(2)18-11(16)10(12(17)19-13)7-15-9-5-3-8(14)4-6-9/h3-7,15H,1-2H3 |
| InChIKey | DWUBTMBPGBQFQQ-UHFFFAOYSA-N |
| Mol Weight | 373.15 g/mol |
| Molecular Formula | C13H12INO4 |
| Exact Mass | 372.981103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K89WSE8vV7M |
|---|---|
| Name | 2,2-Dimethyl-5-{[(4-iodophenyl)amino]methylene}-1,3-dioxane-4,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.981102866 u |
| Formula | C13H12INO4 |
| InChI | InChI=1S/C13H12INO4/c1-13(2)18-11(16)10(12(17)19-13)7-15-9-5-3-8(14)4-6-9/h3-7,15H,1-2H3 |
| InChIKey | DWUBTMBPGBQFQQ-UHFFFAOYSA-N |
| Molecular Weight | 373.146 g/mol |
| SMILES | C1(C(OC(OC1=O)(C)C)=O)=CNC1=CC=C(C=C1)I |