| SpectraBase Compound ID | 25EoJTBsBkh |
|---|---|
| InChI | InChI=1S/C13H10BrNO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,15H2 |
| InChIKey | DOSQODOJAWJBQB-UHFFFAOYSA-N |
| Mol Weight | 276.13 g/mol |
| Molecular Formula | C13H10BrNO |
| Exact Mass | 274.994577 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FsfQsnuvwun |
|---|---|
| Name | Methanone, (4-aminophenyl)(4-bromophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.994576945 u |
| Formula | C13H10BrNO |
| InChI | InChI=1S/C13H10BrNO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,15H2 |
| InChIKey | DOSQODOJAWJBQB-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)Br)(C1=CC=C(C=C1)N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903623 |