| SpectraBase Compound ID | 16UsVJLq2YJ |
|---|---|
| InChI | InChI=1S/C9H7BrN2O/c1-6(13)12-8-3-2-7(5-11)9(10)4-8/h2-4H,1H3,(H,12,13) |
| InChIKey | FITZSLGJEPTHRG-UHFFFAOYSA-N |
| Mol Weight | 239.07 g/mol |
| Molecular Formula | C9H7BrN2O |
| Exact Mass | 237.974176 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JPrCfWZLMyJ |
|---|---|
| Name | 4-Amino-2-bromobenzonitrile, N-acetyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.974175852 u |
| Formula | C9H7BrN2O |
| InChI | InChI=1S/C9H7BrN2O/c1-6(13)12-8-3-2-7(5-11)9(10)4-8/h2-4H,1H3,(H,12,13) |
| InChIKey | FITZSLGJEPTHRG-UHFFFAOYSA-N |
| Molecular Weight | 239.072 g/mol |
| SMILES | C(C1=C(C=C(C=C1)NC(=O)C)Br)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961719 |