| SpectraBase Compound ID | HW8prRiYtV |
|---|---|
| InChI | InChI=1S/C12H7BrN2O3/c13-8-3-1-7(2-4-8)11(16)9-5-15-10(6-14-9)12(17)18/h1-6H,(H,17,18) |
| InChIKey | PWSSCEBXIFDMRA-UHFFFAOYSA-N |
| Mol Weight | 307.1 g/mol |
| Molecular Formula | C12H7BrN2O3 |
| Exact Mass | 305.964005 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KYI6LzFUzAp |
|---|---|
| Name | 5-(4-Bromobenzoyl)-2-pyrazinecarboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H7BrN2O3 |
| InChI | InChI=1S/C12H7BrN2O3/c13-8-3-1-7(2-4-8)11(16)9-5-15-10(6-14-9)12(17)18/h1-6H,(H,17,18) |
| InChIKey | PWSSCEBXIFDMRA-UHFFFAOYSA-N |
| Molecular Weight | 307.103 g/mol |
| SMILES | OC(c1cnc(cn1)C(c1ccc(cc1)Br)=O)=O |
| SPLASH | splash10-001r-0901000000-5cd8979a640c1860aa0d |
| Source of Spectrum | SO-0-119-3 |
| Wiley ID | 1539845 |