| SpectraBase Compound ID | KxueinSC7PC |
|---|---|
| InChI | InChI=1S/C12H10BrN/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H |
| InChIKey | WAAWAHYRHUWAFM-UHFFFAOYSA-N |
| Mol Weight | 248.12 g/mol |
| Molecular Formula | C12H10BrN |
| Exact Mass | 246.999662 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 88FmiMwpJhD |
|---|---|
| Name | 2-Bromodiphenylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.999662326 u |
| Formula | C12H10BrN |
| InChI | InChI=1S/C12H10BrN/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H |
| InChIKey | WAAWAHYRHUWAFM-UHFFFAOYSA-N |
| Molecular Weight | 248.123 g/mol |
| SMILES | C1(=CC=CC=C1)NC=1C(=CC=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895723 |