| SpectraBase Compound ID | IgOPS9BLbJC |
|---|---|
| InChI | InChI=1S/C16H16N2OS/c1-4-20-16-15(10-17)14(9-11(2)18-16)12-5-7-13(19-3)8-6-12/h5-9H,4H2,1-3H3 |
| InChIKey | XPRIZSGHEACEIL-UHFFFAOYSA-N |
| Mol Weight | 284.38 g/mol |
| Molecular Formula | C16H16N2OS |
| Exact Mass | 284.098334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HIFi0TBIUjD |
|---|---|
| Name | 2-(Ethylthio)-4-(p-methoxyphenyl)-6-methylnicotinonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.098334316 u |
| Formula | C16H16N2OS |
| InChI | InChI=1S/C16H16N2OS/c1-4-20-16-15(10-17)14(9-11(2)18-16)12-5-7-13(19-3)8-6-12/h5-9H,4H2,1-3H3 |
| InChIKey | XPRIZSGHEACEIL-UHFFFAOYSA-N |
| SMILES | C=1C(=C(C(=NC1C)SCC)C#N)C=1C=CC(=CC1)OC |