| SpectraBase Compound ID | E2NnOvpBWbP |
|---|---|
| InChI | InChI=1S/C21H22BrN/c1-15(2)19-8-5-9-20(16(3)4)21(19)23-14-6-7-17-10-12-18(22)13-11-17/h5,8-16H,1-4H3/b23-14+ |
| InChIKey | ATIGCNUBRHXRLC-OEAKJJBVSA-N |
| Mol Weight | 368.32 g/mol |
| Molecular Formula | C21H22BrN |
| Exact Mass | 367.093563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJ4F87Z7uOC |
|---|---|
| Name | 1-(2,6-Diisopropylphenylimino)-3-(4-bromophenyl)prop-2-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.093562712 u |
| Formula | C21H22BrN |
| InChI | InChI=1S/C21H22BrN/c1-15(2)19-8-5-9-20(16(3)4)21(19)23-14-6-7-17-10-12-18(22)13-11-17/h5,8-16H,1-4H3/b23-14+ |
| InChIKey | ATIGCNUBRHXRLC-OEAKJJBVSA-N |
| Molecular Weight | 368.318 g/mol |
| SMILES | C(\C=N\C=1C(=CC=CC1C(C)C)C(C)C)#CC=1C=CC(=CC1)Br |