| SpectraBase Compound ID | BgSfiU7Dqap |
|---|---|
| InChI | InChI=1S/C12H18BrN/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,14H2,1-4H3 |
| InChIKey | QAQRHTYPYQPBSX-UHFFFAOYSA-N |
| Mol Weight | 256.19 g/mol |
| Molecular Formula | C12H18BrN |
| Exact Mass | 255.062263 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ix2Iluxw8c2 |
|---|---|
| Name | 4-Bromo-2,6-diisopropylaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.062262584 u |
| Formula | C12H18BrN |
| InChI | InChI=1S/C12H18BrN/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,14H2,1-4H3 |
| InChIKey | QAQRHTYPYQPBSX-UHFFFAOYSA-N |
| Molecular Weight | 256.187 g/mol |
| SMILES | C=1(C(C)C)C(N)=C(C=C(Br)C1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958875 |