| SpectraBase Compound ID | 2cWPqxCFiKy |
|---|---|
| InChI | InChI=1S/C12H18BrN/c1-3-10(2)8-14-9-11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3 |
| InChIKey | PYEJATSXSQGNDT-UHFFFAOYSA-N |
| Mol Weight | 256.19 g/mol |
| Molecular Formula | C12H18BrN |
| Exact Mass | 255.062263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTM22WW9lgh |
|---|---|
| Name | N-2-Methylbutyl-4-bromobenzylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.062262584 u |
| Formula | C12H18BrN |
| InChI | InChI=1S/C12H18BrN/c1-3-10(2)8-14-9-11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3 |
| InChIKey | PYEJATSXSQGNDT-UHFFFAOYSA-N |
| Molecular Weight | 256.187 g/mol |
| SMILES | C=1(CNCC(CC)C)C=CC(=CC1)Br |