![2-[[(1S)-1-phenylethyl]thio]quinoline](/api/spectrum/FwKAY3Ge8Jq/structure.png?h=300&w=458 "2-[[(1S)-1-phenylethyl]thio]quinoline")
| SpectraBase Compound ID | 4lqqeOgGogr |
|---|---|
| InChI | InChI=1S/C17H15NS/c1-13(14-7-3-2-4-8-14)19-17-12-11-15-9-5-6-10-16(15)18-17/h2-13H,1H3/t13-/m0/s1 |
| InChIKey | NRHFIKIMOBVGKM-ZDUSSCGKSA-N |
| Mol Weight | 265.37 g/mol |
| Molecular Formula | C17H15NS |
| Exact Mass | 265.092521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwKAY3Ge8Jq |
|---|---|
| Name | 2-[[(1S)-1-phenylethyl]thio]quinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.092520661 u |
| Formula | C17H15NS |
| InChI | InChI=1S/C17H15NS/c1-13(14-7-3-2-4-8-14)19-17-12-11-15-9-5-6-10-16(15)18-17/h2-13H,1H3/t13-/m0/s1 |
| InChIKey | NRHFIKIMOBVGKM-ZDUSSCGKSA-N |
| Molecular Weight | 265.374 g/mol |
| SMILES | C1(=NC=2C(C=C1)=CC=CC2)S[C@](C1=CC=CC=C1)(C)[H] |