| SpectraBase Compound ID | Gy69YHDbwr9 |
|---|---|
| InChI | InChI=1S/C13H13NS2/c1-3-9-15-13-10(2)14-12(16-13)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3 |
| InChIKey | RKDYCIMCDHNVCC-UHFFFAOYSA-N |
| Mol Weight | 247.37 g/mol |
| Molecular Formula | C13H13NS2 |
| Exact Mass | 247.048942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IR4gP6O5BPI |
|---|---|
| Name | 4-Methyl-2-phenyl-5-(prop-2-enylthio)thiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.048941771 u |
| Formula | C13H13NS2 |
| InChI | InChI=1S/C13H13NS2/c1-3-9-15-13-10(2)14-12(16-13)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3 |
| InChIKey | RKDYCIMCDHNVCC-UHFFFAOYSA-N |
| Molecular Weight | 247.374 g/mol |
| SMILES | C=1(SC(=C(N1)C)SCC=C)C1=CC=CC=C1 |