| SpectraBase Compound ID | 9UzaCoHh7qP |
|---|---|
| InChI | InChI=1S/C7H5BrN2/c8-7-5(4-9)2-1-3-6(7)10/h1-3H,10H2 |
| InChIKey | LZGRGCJYIIGEQV-UHFFFAOYSA-N |
| Mol Weight | 197.03 g/mol |
| Molecular Formula | C7H5BrN2 |
| Exact Mass | 195.963611 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Cve4hyl3m1s |
|---|---|
| Name | 3-Amino-2-bromobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.963611169 u |
| Formula | C7H5BrN2 |
| InChI | InChI=1S/C7H5BrN2/c8-7-5(4-9)2-1-3-6(7)10/h1-3H,10H2 |
| InChIKey | LZGRGCJYIIGEQV-UHFFFAOYSA-N |
| Molecular Weight | 197.035 g/mol |
| SMILES | C1(Br)=C(C=CC=C1C#N)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969181 |