| SpectraBase Compound ID | IYYfyPCYfnZ |
|---|---|
| InChI | InChI=1S/C9H9BrClNO/c1-6(11)9(13)12-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,12,13) |
| InChIKey | XUBDXLHGPBQDQM-UHFFFAOYSA-N |
| Mol Weight | 262.53 g/mol |
| Molecular Formula | C9H9BrClNO |
| Exact Mass | 260.955605 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BA1Zd9l4cMA |
|---|---|
| Name | N-(4-Bromophenyl)-2-chloropropanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.955604613 u |
| Formula | C9H9BrClNO |
| InChI | InChI=1S/C9H9BrClNO/c1-6(11)9(13)12-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,12,13) |
| InChIKey | XUBDXLHGPBQDQM-UHFFFAOYSA-N |
| SMILES | C(NC=1C=CC(Br)=CC1)(=O)C(Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941644 |