| SpectraBase Compound ID | 2QAz7i5igL8 |
|---|---|
| InChI | InChI=1S/C14H12BrN3S/c1-9-7-10(2)18(17-9)14-16-13(8-19-14)11-3-5-12(15)6-4-11/h3-8H,1-2H3 |
| InChIKey | KNKGKGLYQPJURD-UHFFFAOYSA-N |
| Mol Weight | 334.24 g/mol |
| Molecular Formula | C14H12BrN3S |
| Exact Mass | 332.993532 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hlsPB13Lm3 |
|---|---|
| Name | 4-(4-Bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.993531572 u |
| Formula | C14H12BrN3S |
| InChI | InChI=1S/C14H12BrN3S/c1-9-7-10(2)18(17-9)14-16-13(8-19-14)11-3-5-12(15)6-4-11/h3-8H,1-2H3 |
| InChIKey | KNKGKGLYQPJURD-UHFFFAOYSA-N |
| Molecular Weight | 334.235 g/mol |
| SMILES | C1(N2N=C(C)C=C2C)=NC(C=2C=CC(=CC2)Br)=CS1 |