| SpectraBase Compound ID | Ac0WDvUhBcz |
|---|---|
| InChI | InChI=1S/C9H7BrN2O/c1-6(13)12-9-4-2-3-8(10)7(9)5-11/h2-4H,1H3,(H,12,13) |
| InChIKey | JTPGXQSJPGMZKP-UHFFFAOYSA-N |
| Mol Weight | 239.07 g/mol |
| Molecular Formula | C9H7BrN2O |
| Exact Mass | 237.974176 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1m9G9qRqHTi |
|---|---|
| Name | 2-Amino-6-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)12-9-4-2-3-8(10)7(9)5-11/h2-4H,1H3,(H,12,13) |
| InChIKey | JTPGXQSJPGMZKP-UHFFFAOYSA-N |
| Molecular Weight | 239.072 g/mol |
| SMILES | C1(Br)=C(C(=CC=C1)NC(C)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948126 |