SpectraBase Compound ID | AqD8DL3aXIb |
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InChI | InChI=1S/C14H9BrN2O/c15-13-4-2-1-3-12(13)14(18)17-11-7-5-10(9-16)6-8-11/h1-8H,(H,17,18) |
InChIKey | CGUMGABORJTSHH-UHFFFAOYSA-N |
Mol Weight | 301.14 g/mol |
Molecular Formula | C14H9BrN2O |
Exact Mass | 299.989826 g/mol |
SpectraBase Spectrum ID | 7LVmSkfdaOI |
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Name | 2-Bromo-N-(4-cyanophenyl)benzamide |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 299.989825917 u |
Formula | C14H9BrN2O |
InChI | InChI=1S/C14H9BrN2O/c15-13-4-2-1-3-12(13)14(18)17-11-7-5-10(9-16)6-8-11/h1-8H,(H,17,18) |
InChIKey | CGUMGABORJTSHH-UHFFFAOYSA-N |
Molecular Weight | 301.143 g/mol |
SMILES | C(NC1=CC=C(C=C1)C#N)(=O)C1=C(Br)C=CC=C1 |