| SpectraBase Compound ID | KhXRahdGWM2 |
|---|---|
| InChI | InChI=1S/C14H12BrNO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17) |
| InChIKey | SGEVKYATLFKDRR-UHFFFAOYSA-N |
| Mol Weight | 290.16 g/mol |
| Molecular Formula | C14H12BrNO |
| Exact Mass | 289.010227 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8wUg3vT6BtB |
|---|---|
| Name | N-(2-Bromo-4-methylphenyl)benzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.010227009 u |
| Formula | C14H12BrNO |
| InChI | InChI=1S/C14H12BrNO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17) |
| InChIKey | SGEVKYATLFKDRR-UHFFFAOYSA-N |
| SMILES | C(NC=1C(=CC(=CC1)C)Br)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926762 |