| SpectraBase Compound ID | 3aLcBmr1jnA |
|---|---|
| InChI | InChI=1S/C16H14BrN/c17-12-11-16(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2 |
| InChIKey | IGYSFJHVFHNOEI-UHFFFAOYSA-N |
| Mol Weight | 300.2 g/mol |
| Molecular Formula | C16H14BrN |
| Exact Mass | 299.030962 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Be5ZAjuF7ZZ |
|---|---|
| Name | 4-Bromo-2,2-diphenylbutyronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.030962455 u |
| Formula | C16H14BrN |
| InChI | InChI=1S/C16H14BrN/c17-12-11-16(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2 |
| InChIKey | IGYSFJHVFHNOEI-UHFFFAOYSA-N |
| SMILES | C=1C(=CC=CC1)C(C=1C=CC=CC1)(CCBr)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.995668 |