| SpectraBase Compound ID | 4ehFaFQFdZs |
|---|---|
| InChI | InChI=1S/C14H20BrN/c1-16(14-8-3-2-4-9-14)11-12-6-5-7-13(15)10-12/h5-7,10,14H,2-4,8-9,11H2,1H3 |
| InChIKey | WWTFCTQMQZDZCM-UHFFFAOYSA-N |
| Mol Weight | 282.23 g/mol |
| Molecular Formula | C14H20BrN |
| Exact Mass | 281.077913 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 47mruiKqcZx |
|---|---|
| Name | N-(3-Bromobenzyl)cyclohexanamine, N-methyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.077912648 u |
| Formula | C14H20BrN |
| InChI | InChI=1S/C14H20BrN/c1-16(14-8-3-2-4-9-14)11-12-6-5-7-13(15)10-12/h5-7,10,14H,2-4,8-9,11H2,1H3 |
| InChIKey | WWTFCTQMQZDZCM-UHFFFAOYSA-N |
| SMILES | C1(CCCCC1)N(CC1=CC(=CC=C1)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.836029 |