| SpectraBase Compound ID | KHUREdGAcrH |
|---|---|
| InChI | InChI=1S/C9H10BrN/c10-7-4-8-11-9-5-2-1-3-6-9/h1-7,11H,8H2/b7-4+ |
| InChIKey | IBEKCZHUAJBBQE-QPJJXVBHSA-N |
| Mol Weight | 212.09 g/mol |
| Molecular Formula | C9H10BrN |
| Exact Mass | 210.999662 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9flttaEXQAc |
|---|---|
| Name | (3-Bromoprop-2-enyl)phenylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.999662326 u |
| Formula | C9H10BrN |
| InChI | InChI=1S/C9H10BrN/c10-7-4-8-11-9-5-2-1-3-6-9/h1-7,11H,8H2/b7-4+ |
| InChIKey | IBEKCZHUAJBBQE-QPJJXVBHSA-N |
| Molecular Weight | 212.090 g/mol |
| SMILES | C(\C=C\Br)NC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960547 |