| SpectraBase Compound ID | ILF823zDXkn |
|---|---|
| InChI | InChI=1S/C6H11Br2NO/c1-6(10)9(4-2-7)5-3-8/h2-5H2,1H3 |
| InChIKey | TZQVLNUHCRWMEL-UHFFFAOYSA-N |
| Mol Weight | 272.97 g/mol |
| Molecular Formula | C6H11Br2NO |
| Exact Mass | 270.92074 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 96uAlPZmfvu |
|---|---|
| Name | bis(2-Bromoethyl)amine, N-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.920739977 u |
| Formula | C6H11Br2NO |
| InChI | InChI=1S/C6H11Br2NO/c1-6(10)9(4-2-7)5-3-8/h2-5H2,1H3 |
| InChIKey | TZQVLNUHCRWMEL-UHFFFAOYSA-N |
| SMILES | C(N(CCBr)C(C)=O)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931738 |