| SpectraBase Compound ID | 7dU9crDZ3r8 |
|---|---|
| InChI | InChI=1S/C12H13NS/c1-2-9-14-12-7-8-13-11-6-4-3-5-10(11)12/h3-8H,2,9H2,1H3 |
| InChIKey | WGDLLPWCIUYSRT-UHFFFAOYSA-N |
| Mol Weight | 203.3 g/mol |
| Molecular Formula | C12H13NS |
| Exact Mass | 203.076871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1YOfLTB4VV1 |
|---|---|
| Name | 4-(Propylthio)quinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.076870597 u |
| Formula | C12H13NS |
| InChI | InChI=1S/C12H13NS/c1-2-9-14-12-7-8-13-11-6-4-3-5-10(11)12/h3-8H,2,9H2,1H3 |
| InChIKey | WGDLLPWCIUYSRT-UHFFFAOYSA-N |
| Molecular Weight | 203.303 g/mol |
| SMILES | C1=NC2=CC=CC=C2C(=C1)SCCC |