| SpectraBase Compound ID | KA2N4kapaI2 |
|---|---|
| InChI | InChI=1S/C8H15BrClN/c1-5-8(9,10)6-11-7(2,3)4/h6H,5H2,1-4H3/b11-6+ |
| InChIKey | NCMNIGQNHFXRFM-IZZDOVSWSA-N |
| Mol Weight | 240.57 g/mol |
| Molecular Formula | C8H15BrClN |
| Exact Mass | 239.00764 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CjN4jDjem0K |
|---|---|
| Name | N-2-Bromo-2-chloro-3-butylidene)-tert-butylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.007640187 u |
| Formula | C8H15BrClN |
| InChI | InChI=1S/C8H15BrClN/c1-5-8(9,10)6-11-7(2,3)4/h6H,5H2,1-4H3/b11-6+ |
| InChIKey | NCMNIGQNHFXRFM-IZZDOVSWSA-N |
| Molecular Weight | 240.572 g/mol |
| SMILES | C(\C=N\C(C)(C)C)(Cl)(Br)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951561 |