| SpectraBase Compound ID | 9rHrb2lyKtY |
|---|---|
| InChI | InChI=1S/C13H11BrN2O2/c1-2-18-12(17)10-5-3-9(4-6-10)11-7-8-15-13(14)16-11/h3-8H,2H2,1H3 |
| InChIKey | TWBJHJALBTZUFX-UHFFFAOYSA-N |
| Mol Weight | 307.15 g/mol |
| Molecular Formula | C13H11BrN2O2 |
| Exact Mass | 306.000391 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3SUc9deka |
|---|---|
| Name | Ethyl 4-(2'-bromopyrimidin-4'-yl)-benzoate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H11BrN2O2 |
| InChI | InChI=1S/C13H11BrN2O2/c1-2-18-12(17)10-5-3-9(4-6-10)11-7-8-15-13(14)16-11/h3-8H,2H2,1H3 |
| InChIKey | TWBJHJALBTZUFX-UHFFFAOYSA-N |
| Molecular Weight | 307.147 g/mol |
| SMILES | c1(nc(ccn1)-c1ccc(C(=O)OCC)cc1)Br |
| SPLASH | splash10-03di-2492000000-c326d447c17ef61fe9f9 |
| Source of Spectrum | QE-15-463-15b |
| Wiley ID | 1693121 |