| SpectraBase Compound ID | CwDYUgLvZDI |
|---|---|
| InChI | InChI=1S/C13H13NS/c1-2-4-13(5-3-1)15-11-8-12-6-9-14-10-7-12/h1-7,9-10H,8,11H2 |
| InChIKey | XFLNVXUSNWPNOC-UHFFFAOYSA-N |
| Mol Weight | 215.31 g/mol |
| Molecular Formula | C13H13NS |
| Exact Mass | 215.076871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpElRk15iJB |
|---|---|
| Name | 4-[2-(Phenylsulfanyl)ethyl]pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.076870597 u |
| Formula | C13H13NS |
| InChI | InChI=1S/C13H13NS/c1-2-4-13(5-3-1)15-11-8-12-6-9-14-10-7-12/h1-7,9-10H,8,11H2 |
| InChIKey | XFLNVXUSNWPNOC-UHFFFAOYSA-N |
| Molecular Weight | 215.314 g/mol |
| SMILES | C1=CC=C(SCCC=2C=CN=CC2)C=C1 |