| SpectraBase Compound ID | 3AC9F1FRLnQ |
|---|---|
| InChI | InChI=1S/C16H18BrN3/c1-20(2)16-9-7-15(8-10-16)19-18-14-5-3-13(4-6-14)11-12-17/h3-10H,11-12H2,1-2H3/b19-18+ |
| InChIKey | OALDUWKZHJBNPP-VHEBQXMUSA-N |
| Mol Weight | 332.25 g/mol |
| Molecular Formula | C16H18BrN3 |
| Exact Mass | 331.068411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9WDcX896L52 |
|---|---|
| Name | 4-(2-Bromoethyl)-4'-(dimethylamino)azobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.068410592 u |
| Formula | C16H18BrN3 |
| InChI | InChI=1S/C16H18BrN3/c1-20(2)16-9-7-15(8-10-16)19-18-14-5-3-13(4-6-14)11-12-17/h3-10H,11-12H2,1-2H3/b19-18+ |
| InChIKey | OALDUWKZHJBNPP-VHEBQXMUSA-N |
| Molecular Weight | 332.245 g/mol |
| SMILES | C(Br)CC1=CC=C(\N=N\C2=CC=C(N(C)C)C=C2)C=C1 |