![1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[[methyl(phenylmethyl)amino]me thylene]-](/api/spectrum/2QiiOdq3RB2/structure.png?h=300&w=458 "1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[[methyl(phenylmethyl)amino]me thylene]-")
| SpectraBase Compound ID | BS0aYx6EC7k |
|---|---|
| InChI | InChI=1S/C15H17NO4/c1-15(2)19-13(17)12(14(18)20-15)10-16(3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3 |
| InChIKey | NIFBXSZLHIOEIK-UHFFFAOYSA-N |
| Mol Weight | 275.3 g/mol |
| Molecular Formula | C15H17NO4 |
| Exact Mass | 275.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2QiiOdq3RB2 |
|---|---|
| Name | 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[[methyl(phenylmethyl)amino]me thylene]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.115758027 u |
| Formula | C15H17NO4 |
| InChI | InChI=1S/C15H17NO4/c1-15(2)19-13(17)12(14(18)20-15)10-16(3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3 |
| InChIKey | NIFBXSZLHIOEIK-UHFFFAOYSA-N |
| SMILES | C1(C(OC(OC1=O)(C)C)=O)=CN(CC1=CC=CC=C1)C |