| SpectraBase Compound ID | 8jIunSRnd7j |
|---|---|
| InChI | InChI=1S/C5H9BrN2/c1-4(6)5(2)8-3-7/h4-5,8H,1-2H3 |
| InChIKey | XKCJPUWWJPQRIW-UHFFFAOYSA-N |
| Mol Weight | 177.04 g/mol |
| Molecular Formula | C5H9BrN2 |
| Exact Mass | 175.994911 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I8lc0WNByi5 |
|---|---|
| Name | (2-Bromo-1-methyl-propyl)cyanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.994911298 u |
| Formula | C5H9BrN2 |
| InChI | InChI=1S/C5H9BrN2/c1-4(6)5(2)8-3-7/h4-5,8H,1-2H3 |
| InChIKey | XKCJPUWWJPQRIW-UHFFFAOYSA-N |
| SMILES | C(#N)NC(C(Br)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933283 |