| SpectraBase Compound ID | E2Tx5uw8P3K |
|---|---|
| InChI | InChI=1S/C13H18N2S/c1-8(2)7-16-13-12(6-14)10(4)9(3)11(5)15-13/h8H,7H2,1-5H3 |
| InChIKey | NFJMYJJOUUHAHL-UHFFFAOYSA-N |
| Mol Weight | 234.36 g/mol |
| Molecular Formula | C13H18N2S |
| Exact Mass | 234.11907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BNjsdPozkO9 |
|---|---|
| Name | 2-Isobutylsulfanyl-4,5,6-trimethyl-nicotinonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.119069762 u |
| Formula | C13H18N2S |
| InChI | InChI=1S/C13H18N2S/c1-8(2)7-16-13-12(6-14)10(4)9(3)11(5)15-13/h8H,7H2,1-5H3 |
| InChIKey | NFJMYJJOUUHAHL-UHFFFAOYSA-N |
| Molecular Weight | 234.361 g/mol |
| SMILES | C1(=C(N=C(C(=C1C)C)C)SCC(C)C)C#N |