| SpectraBase Compound ID | FUNPB7v9wdp |
|---|---|
| InChI | InChI=1S/C9H7BrN2O/c1-6(13)12-9-3-2-7(5-11)4-8(9)10/h2-4H,1H3,(H,12,13) |
| InChIKey | VLAXAYVYYHHRBJ-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 | 4mVjr8w2gzz |
|---|---|
| Name | 4-Amino-3-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)12-9-3-2-7(5-11)4-8(9)10/h2-4H,1H3,(H,12,13) |
| InChIKey | VLAXAYVYYHHRBJ-UHFFFAOYSA-N |
| Molecular Weight | 239.072 g/mol |
| SMILES | C(C1=CC(=C(C=C1)NC(C)=O)Br)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970786 |