![3-Pyridinecarbonitrile, 6-chloro-2-[(4-methoxyphenyl)amino]-4-methyl-](/api/spectrum/850pK5Vytaz/structure.png?h=300&w=458 "3-Pyridinecarbonitrile, 6-chloro-2-[(4-methoxyphenyl)amino]-4-methyl-")
| SpectraBase Compound ID | F2iNmd0EKjy |
|---|---|
| InChI | InChI=1S/C14H12ClN3O/c1-9-7-13(15)18-14(12(9)8-16)17-10-3-5-11(19-2)6-4-10/h3-7H,1-2H3,(H,17,18) |
| InChIKey | DKRYTNDRTMLFDM-UHFFFAOYSA-N |
| Mol Weight | 273.72 g/mol |
| Molecular Formula | C14H12ClN3O |
| Exact Mass | 273.06689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 850pK5Vytaz |
|---|---|
| Name | 3-Pyridinecarbonitrile, 6-chloro-2-[(4-methoxyphenyl)amino]-4-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.066889717 u |
| Formula | C14H12ClN3O |
| InChI | InChI=1S/C14H12ClN3O/c1-9-7-13(15)18-14(12(9)8-16)17-10-3-5-11(19-2)6-4-10/h3-7H,1-2H3,(H,17,18) |
| InChIKey | DKRYTNDRTMLFDM-UHFFFAOYSA-N |
| SMILES | C1(=C(C(C)=CC(=N1)Cl)C#N)NC1=CC=C(C=C1)OC |