| SpectraBase Compound ID | IVI56m9DtD7 |
|---|---|
| InChI | InChI=1S/C9H7BrClNO2/c1-5(13)12-9(14)7-3-2-6(11)4-8(7)10/h2-4H,1H3,(H,12,13,14) |
| InChIKey | UBSUBXBMJPSZCQ-UHFFFAOYSA-N |
| Mol Weight | 276.52 g/mol |
| Molecular Formula | C9H7BrClNO2 |
| Exact Mass | 274.934869 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Owr3mGVfh4 |
|---|---|
| Name | N-Acetyl-2-bromo-4-chlorobenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.934869167 u |
| Formula | C9H7BrClNO2 |
| InChI | InChI=1S/C9H7BrClNO2/c1-5(13)12-9(14)7-3-2-6(11)4-8(7)10/h2-4H,1H3,(H,12,13,14) |
| InChIKey | UBSUBXBMJPSZCQ-UHFFFAOYSA-N |
| SMILES | C1(Br)=C(C=CC(=C1)Cl)C(=O)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971416 |