| SpectraBase Compound ID | JbKhwWPM5ze |
|---|---|
| InChI | InChI=1S/C15H18BrN3/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)13-4-2-1-3-5-13/h6-10,13H,1-5,17H2 |
| InChIKey | YRQJCJHCCABDSG-UHFFFAOYSA-N |
| Mol Weight | 320.23 g/mol |
| Molecular Formula | C15H18BrN3 |
| Exact Mass | 319.068411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4VK3P6ad8Sr |
|---|---|
| Name | Pyrazol-5-amine, 3-(4-bromophenyl)-1-cyclohexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.068410592 u |
| Formula | C15H18BrN3 |
| InChI | InChI=1S/C15H18BrN3/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)13-4-2-1-3-5-13/h6-10,13H,1-5,17H2 |
| InChIKey | YRQJCJHCCABDSG-UHFFFAOYSA-N |
| Molecular Weight | 320.234 g/mol |
| SMILES | C1CCC(N2C(N)=CC(=N2)C2=CC=C(C=C2)Br)CC1 |