![2-[(2,5-Dimethoxyanilino)methylene]-5,5-dimethyl-1,3-cyclohexanedione](/api/spectrum/IC9RmApJMgK/structure.png?h=300&w=458 "2-[(2,5-Dimethoxyanilino)methylene]-5,5-dimethyl-1,3-cyclohexanedione")
| SpectraBase Compound ID | JjzMnNRgpYs |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-17(2)8-14(19)12(15(20)9-17)10-18-13-7-11(21-3)5-6-16(13)22-4/h5-7,10,18H,8-9H2,1-4H3 |
| InChIKey | KHMUKAHEDPCHSR-UHFFFAOYSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IC9RmApJMgK |
|---|---|
| Name | 2-[(2,5-Dimethoxyanilino)methylene]-5,5-dimethyl-1,3-cyclohexanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.147058156 u |
| Formula | C17H21NO4 |
| InChI | InChI=1S/C17H21NO4/c1-17(2)8-14(19)12(15(20)9-17)10-18-13-7-11(21-3)5-6-16(13)22-4/h5-7,10,18H,8-9H2,1-4H3 |
| InChIKey | KHMUKAHEDPCHSR-UHFFFAOYSA-N |
| SMILES | N(C=C1C(CC(CC1=O)(C)C)=O)C1=CC(OC)=CC=C1OC |