SpectraBase Compound ID | GIqU6aWRJyk |
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InChI | InChI=1S/C12H11BrN2O2S/c1-2-17-12(16)10-9(7-13)15-11(18-10)8-5-3-4-6-14-8/h3-6H,2,7H2,1H3 |
InChIKey | RNJKUHUGSBTCRJ-UHFFFAOYSA-N |
Mol Weight | 327.2 g/mol |
Molecular Formula | C12H11BrN2O2S |
Exact Mass | 325.972462 g/mol |
SpectraBase Spectrum ID | 5kXPbQWdwM5 |
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Name | Ethyl 2(2-pyridyl)-4-(bromomethyl)thiazole-5-carboxylate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 325.972461774 u |
Formula | C12H11BrN2O2S |
InChI | InChI=1S/C12H11BrN2O2S/c1-2-17-12(16)10-9(7-13)15-11(18-10)8-5-3-4-6-14-8/h3-6H,2,7H2,1H3 |
InChIKey | RNJKUHUGSBTCRJ-UHFFFAOYSA-N |
Molecular Weight | 327.196 g/mol |
SMILES | CCOC(=O)C=1SC(C2=CC=CC=N2)=NC1CBr |