![5-[4-(Dimethylamino)phenyl]-1,3-cyclohexanedione](/api/spectrum/2dIVMUUrQiN/structure.png?h=300&w=458 "5-[4-(Dimethylamino)phenyl]-1,3-cyclohexanedione")
| SpectraBase Compound ID | 21EXKAU4d4G |
|---|---|
| InChI | InChI=1S/C14H17NO2/c1-15(2)12-5-3-10(4-6-12)11-7-13(16)9-14(17)8-11/h3-6,11H,7-9H2,1-2H3 |
| InChIKey | WANNTJAQMZXABU-UHFFFAOYSA-N |
| Mol Weight | 231.29 g/mol |
| Molecular Formula | C14H17NO2 |
| Exact Mass | 231.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2dIVMUUrQiN |
|---|---|
| Name | 5-[4-(Dimethylamino)phenyl]-1,3-cyclohexanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.125928789 u |
| Formula | C14H17NO2 |
| InChI | InChI=1S/C14H17NO2/c1-15(2)12-5-3-10(4-6-12)11-7-13(16)9-14(17)8-11/h3-6,11H,7-9H2,1-2H3 |
| InChIKey | WANNTJAQMZXABU-UHFFFAOYSA-N |
| Molecular Weight | 231.295 g/mol |
| SMILES | CN(C1=CC=C(C=C1)C1CC(CC(C1)=O)=O)C |