![4-[4-(Dimethylamino)phenyl]-6-methyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile](/api/spectrum/DdqILEsaU93/structure.png?h=300&w=458 "4-[4-(Dimethylamino)phenyl]-6-methyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile")
| SpectraBase Compound ID | IdLT6HXAaSf |
|---|---|
| InChI | InChI=1S/C15H15N3S/c1-10-8-13(14(9-16)15(19)17-10)11-4-6-12(7-5-11)18(2)3/h4-8H,1-3H3,(H,17,19) |
| InChIKey | ALFMCVWRNFZMFV-UHFFFAOYSA-N |
| Mol Weight | 269.37 g/mol |
| Molecular Formula | C15H15N3S |
| Exact Mass | 269.098669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DdqILEsaU93 |
|---|---|
| Name | 4-[4-(Dimethylamino)phenyl]-6-methyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.098668669 u |
| Formula | C15H15N3S |
| InChI | InChI=1S/C15H15N3S/c1-10-8-13(14(9-16)15(19)17-10)11-4-6-12(7-5-11)18(2)3/h4-8H,1-3H3,(H,17,19) |
| InChIKey | ALFMCVWRNFZMFV-UHFFFAOYSA-N |
| Molecular Weight | 269.366 g/mol |
| SMILES | N1C(=CC(=C(C1=S)C#N)C1=CC=C(C=C1)N(C)C)C |