| SpectraBase Compound ID | FfjQXLiby0s |
|---|---|
| InChI | InChI=1S/C8H7BrClNO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,1H3,(H,11,12) |
| InChIKey | BVADKOYGDKTWMU-UHFFFAOYSA-N |
| Mol Weight | 248.51 g/mol |
| Molecular Formula | C8H7BrClNO |
| Exact Mass | 246.939955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4yQrZkghCtW |
|---|---|
| Name | 4-Bromo-3-chloroacetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.939954548 u |
| Formula | C8H7BrClNO |
| InChI | InChI=1S/C8H7BrClNO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,1H3,(H,11,12) |
| InChIKey | BVADKOYGDKTWMU-UHFFFAOYSA-N |
| Molecular Weight | 248.507 g/mol |
| SMILES | C1(=CC(=C(C=C1)Br)Cl)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910167 |