| SpectraBase Compound ID | 2Yp7z8l8njE |
|---|---|
| InChI | InChI=1S/C9H9BrClNO/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5-6H2,(H,12,13) |
| InChIKey | VZDHQIUBGSISCC-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 | EBWVL0AYXlL |
|---|---|
| Name | Propanamide, N-(4-bromophenyl)-3-chloro- |
| 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/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5-6H2,(H,12,13) |
| InChIKey | VZDHQIUBGSISCC-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)NC(CCCl)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931732 |