| SpectraBase Compound ID | 4l7vuF82qQx |
|---|---|
| InChI | InChI=1S/C17H18N4O2S/c1-14-4-6-16(7-5-14)24(22,23)21-11-9-20(10-12-21)17-15(13-18)3-2-8-19-17/h2-8H,9-12H2,1H3 |
| InChIKey | NYLACAAEFWBUQQ-UHFFFAOYSA-N |
| Mol Weight | 342.42 g/mol |
| Molecular Formula | C17H18N4O2S |
| Exact Mass | 342.115047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pvc5c9rHsX |
|---|---|
| Name | 2-(4-Tosylpiperazino)nicotinonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.115047008 u |
| Formula | C17H18N4O2S |
| InChI | InChI=1S/C17H18N4O2S/c1-14-4-6-16(7-5-14)24(22,23)21-11-9-20(10-12-21)17-15(13-18)3-2-8-19-17/h2-8H,9-12H2,1H3 |
| InChIKey | NYLACAAEFWBUQQ-UHFFFAOYSA-N |
| Molecular Weight | 342.417 g/mol |
| SMILES | C1N(S(=O)(=O)C2=CC=C(C=C2)C)CCN(C1)C1=NC=CC=C1C#N |