![3-Pyridinecarbonitrile, 2-chloro-4-methyl-6-[(phenylmethyl)amino]-](/api/spectrum/5Gqpayz08ze/structure.png?h=300&w=458 "3-Pyridinecarbonitrile, 2-chloro-4-methyl-6-[(phenylmethyl)amino]-")
| SpectraBase Compound ID | 6w6BW3O6Dli |
|---|---|
| InChI | InChI=1S/C14H12ClN3/c1-10-7-13(18-14(15)12(10)8-16)17-9-11-5-3-2-4-6-11/h2-7H,9H2,1H3,(H,17,18) |
| InChIKey | WDIWKTVBFXUQAX-UHFFFAOYSA-N |
| Mol Weight | 257.72 g/mol |
| Molecular Formula | C14H12ClN3 |
| Exact Mass | 257.071975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Gqpayz08ze |
|---|---|
| Name | 3-Pyridinecarbonitrile, 2-chloro-4-methyl-6-[(phenylmethyl)amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.071975098 u |
| Formula | C14H12ClN3 |
| InChI | InChI=1S/C14H12ClN3/c1-10-7-13(18-14(15)12(10)8-16)17-9-11-5-3-2-4-6-11/h2-7H,9H2,1H3,(H,17,18) |
| InChIKey | WDIWKTVBFXUQAX-UHFFFAOYSA-N |
| SMILES | N(C1=CC(=C(C(=N1)Cl)C#N)C)CC1=CC=CC=C1 |