| SpectraBase Compound ID | 5ee7QbaQdAj |
|---|---|
| InChI | InChI=1S/C11H12BrNO2/c1-13(8-14)7-6-11(15)9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3 |
| InChIKey | FPCSENSTUYYIRJ-UHFFFAOYSA-N |
| Mol Weight | 270.13 g/mol |
| Molecular Formula | C11H12BrNO2 |
| Exact Mass | 269.005142 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8xE7cGHSrSB |
|---|---|
| Name | N-(3-(4-Bromophenyl)-3-oxopropyl)-N-methylformamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.005141628 u |
| Formula | C11H12BrNO2 |
| InChI | InChI=1S/C11H12BrNO2/c1-13(8-14)7-6-11(15)9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3 |
| InChIKey | FPCSENSTUYYIRJ-UHFFFAOYSA-N |
| SMILES | C=1(C=CC(=CC1)C(=O)CCN(C=O)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913734 |