| SpectraBase Compound ID | Lk4P0i85Fk9 |
|---|---|
| InChI | InChI=1S/C9H10BrNO2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12) |
| InChIKey | QLFJPPNMBXMPHB-UHFFFAOYSA-N |
| Mol Weight | 244.09 g/mol |
| Molecular Formula | C9H10BrNO2 |
| Exact Mass | 242.989492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 16Im1A33nuX |
|---|---|
| Name | Acetamide, N-(4-methoxyphenyl)-2-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.989491564 u |
| Formula | C9H10BrNO2 |
| InChI | InChI=1S/C9H10BrNO2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12) |
| InChIKey | QLFJPPNMBXMPHB-UHFFFAOYSA-N |
| Molecular Weight | 244.088 g/mol |
| SMILES | COC1=CC=C(NC(CBr)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948766 |