| SpectraBase Compound ID | HE0DNCdsaGb |
|---|---|
| InChI | InChI=1S/C9H7BrN2O/c10-8-4-2-1-3-7(8)9(13)12-6-5-11/h1-4H,6H2,(H,12,13) |
| InChIKey | NCESPLNREYITQW-UHFFFAOYSA-N |
| Mol Weight | 239.07 g/mol |
| Molecular Formula | C9H7BrN2O |
| Exact Mass | 237.974176 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFUmJEdMOnd |
|---|---|
| Name | 2-Bromo-N-(cyanomethyl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.974175852 u |
| Formula | C9H7BrN2O |
| InChI | InChI=1S/C9H7BrN2O/c10-8-4-2-1-3-7(8)9(13)12-6-5-11/h1-4H,6H2,(H,12,13) |
| InChIKey | NCESPLNREYITQW-UHFFFAOYSA-N |
| Molecular Weight | 239.072 g/mol |
| SMILES | N(C(C1=C(Br)C=CC=C1)=O)CC#N |