| SpectraBase Compound ID | YaXXbTCPLJ |
|---|---|
| InChI | InChI=1S/C8H7BrN2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,1H3 |
| InChIKey | HPBQUPWPNVTICX-UHFFFAOYSA-N |
| Mol Weight | 211.06 g/mol |
| Molecular Formula | C8H7BrN2 |
| Exact Mass | 209.979261 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1w5oTqwnCGy |
|---|---|
| Name | 4-Amino-3-bromobenzonitrile, N-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.979261233 u |
| Formula | C8H7BrN2 |
| InChI | InChI=1S/C8H7BrN2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,1H3 |
| InChIKey | HPBQUPWPNVTICX-UHFFFAOYSA-N |
| Molecular Weight | 211.062 g/mol |
| SMILES | C(C1=CC(=C(C=C1)NC)Br)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831744 |