| SpectraBase Compound ID | 5vYuvoBlUOf |
|---|---|
| InChI | InChI=1S/C8H8BrN/c1-2-6-4-3-5-7(10)8(6)9/h2-5H,1,10H2 |
| InChIKey | NEPFXRONHKNZPU-UHFFFAOYSA-N |
| Mol Weight | 198.06 g/mol |
| Molecular Formula | C8H8BrN |
| Exact Mass | 196.984012 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CRQpFW8weiV |
|---|---|
| Name | 2-Bromo-3-vinylaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.984012262 u |
| Formula | C8H8BrN |
| InChI | InChI=1S/C8H8BrN/c1-2-6-4-3-5-7(10)8(6)9/h2-5H,1,10H2 |
| InChIKey | NEPFXRONHKNZPU-UHFFFAOYSA-N |
| Molecular Weight | 198.063 g/mol |
| SMILES | C1=C(C(=C(C=C1)N)Br)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929121 |