![2-[(p-Bromophenyl)azo]-2-methylpropionitrile](/api/spectrum/1n0ew4cNAAv/structure.png?h=300&w=458 "2-[(p-Bromophenyl)azo]-2-methylpropionitrile")
| SpectraBase Compound ID | 3v4AWsD7t2K |
|---|---|
| InChI | InChI=1S/C10H10BrN3/c1-10(2,7-12)14-13-9-5-3-8(11)4-6-9/h3-6H,1-2H3/b14-13+ |
| InChIKey | ZCIRNAFZKVBLTP-BUHFOSPRSA-N |
| Mol Weight | 252.11 g/mol |
| Molecular Formula | C10H10BrN3 |
| Exact Mass | 251.00581 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1n0ew4cNAAv |
|---|---|
| Name | 2-[(p-Bromophenyl)azo]-2-methylpropionitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.005810334 u |
| Formula | C10H10BrN3 |
| InChI | InChI=1S/C10H10BrN3/c1-10(2,7-12)14-13-9-5-3-8(11)4-6-9/h3-6H,1-2H3/b14-13+ |
| InChIKey | ZCIRNAFZKVBLTP-BUHFOSPRSA-N |
| Molecular Weight | 252.115 g/mol |
| SMILES | C1=C(C=CC(=C1)Br)\N=N\C(C#N)(C)C |