| SpectraBase Compound ID | CqztSj2CVV5 |
|---|---|
| InChI | InChI=1S/C8H10N2S/c9-8(11)5-4-7-3-1-2-6-10-7/h1-3,6H,4-5H2,(H2,9,11) |
| InChIKey | DTBYSYRKPJPTJH-UHFFFAOYSA-N |
| Mol Weight | 166.24 g/mol |
| Molecular Formula | C8H10N2S |
| Exact Mass | 166.05647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1idEZ71SS8D |
|---|---|
| Name | 2-Pyridinepropanethioamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.056469504 u |
| Formula | C8H10N2S |
| InChI | InChI=1S/C8H10N2S/c9-8(11)5-4-7-3-1-2-6-10-7/h1-3,6H,4-5H2,(H2,9,11) |
| InChIKey | DTBYSYRKPJPTJH-UHFFFAOYSA-N |
| Molecular Weight | 166.242 g/mol |
| SMILES | C(=S)(N)CCC=1C=CC=CN1 |