| SpectraBase Compound ID | KH3pZVhNPMr |
|---|---|
| InChI | InChI=1S/C14H14N2S/c1-2-11-8-9-13(15-10-11)14(17)16-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,16,17) |
| InChIKey | BOXPADXBMOGYIS-UHFFFAOYSA-N |
| Mol Weight | 242.34 g/mol |
| Molecular Formula | C14H14N2S |
| Exact Mass | 242.08777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjAI6Bosg2h |
|---|---|
| Name | 5-Ethyl-N-phenyl-2-pyridinecarbothioamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.087769633 u |
| Formula | C14H14N2S |
| InChI | InChI=1S/C14H14N2S/c1-2-11-8-9-13(15-10-11)14(17)16-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,16,17) |
| InChIKey | BOXPADXBMOGYIS-UHFFFAOYSA-N |
| Molecular Weight | 242.340 g/mol |
| SMILES | C(=S)(NC1=CC=CC=C1)C1=NC=C(C=C1)CC |