| SpectraBase Compound ID | 88elMkvnMVu |
|---|---|
| InChI | InChI=1S/C13H15NS2/c1-2-3-9-15-13-14-12(10-16-13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3 |
| InChIKey | VOPDIGLDSQBNDN-UHFFFAOYSA-N |
| Mol Weight | 249.39 g/mol |
| Molecular Formula | C13H15NS2 |
| Exact Mass | 249.064592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7cZh2zljfbX |
|---|---|
| Name | 2-(Butylthio)-4-phenyl-thiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.064591835 u |
| Formula | C13H15NS2 |
| InChI | InChI=1S/C13H15NS2/c1-2-3-9-15-13-14-12(10-16-13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3 |
| InChIKey | VOPDIGLDSQBNDN-UHFFFAOYSA-N |
| Molecular Weight | 249.390 g/mol |
| SMILES | C1(=NC(=CS1)C1=CC=CC=C1)SCCCC |