| SpectraBase Compound ID | 3IRpfeziJnF |
|---|---|
| InChI | InChI=1S/C6H12BrNO/c1-3-6(7,4-2)5(8)9/h3-4H2,1-2H3,(H2,8,9) |
| InChIKey | ACEYAMOAGUDVAQ-UHFFFAOYSA-N |
| Mol Weight | 194.07 g/mol |
| Molecular Formula | C6H12BrNO |
| Exact Mass | 193.010227 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3EHNvtBGNDP |
|---|---|
| Name | 2-Bromo-2-ethylbutyramide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.010227009 u |
| Formula | C6H12BrNO |
| InChI | InChI=1S/C6H12BrNO/c1-3-6(7,4-2)5(8)9/h3-4H2,1-2H3,(H2,8,9) |
| InChIKey | ACEYAMOAGUDVAQ-UHFFFAOYSA-N |
| Molecular Weight | 194.072 g/mol |
| SMILES | NC(C(CC)(CC)Br)=O |
| Spectrum/Structure Validation Score (Raman) | 0.769849 |