| SpectraBase Compound ID | 3n0iHc3WiWF |
|---|---|
| InChI | InChI=1S/C7H14BrN/c1-5(2)9-7(4)6(3)8/h5-6H,1-4H3/b9-7+ |
| InChIKey | KIESQFMLIPHFRT-VQHVLOKHSA-N |
| Mol Weight | 192.1 g/mol |
| Molecular Formula | C7H14BrN |
| Exact Mass | 191.030962 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JOWqpOGRQxB |
|---|---|
| Name | N-(3-Bromo-2-butylidene)isopropylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.030962455 u |
| Formula | C7H14BrN |
| InChI | InChI=1S/C7H14BrN/c1-5(2)9-7(4)6(3)8/h5-6H,1-4H3/b9-7+ |
| InChIKey | KIESQFMLIPHFRT-VQHVLOKHSA-N |
| Molecular Weight | 192.100 g/mol |
| SMILES | C(\C(=N\C(C)C)C)(Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986952 |