| SpectraBase Compound ID | 30NCIPhwNuW |
|---|---|
| InChI | InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2 |
| InChIKey | LFFIEVAMVPCZNA-UHFFFAOYSA-N |
| Mol Weight | 272.14 g/mol |
| Molecular Formula | C14H10BrN |
| Exact Mass | 270.999662 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CGtSWSEvfq5 |
|---|---|
| Name | 4'-Bromomethyl-2-cyanobiphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.999662326 u |
| Formula | C14H10BrN |
| InChI | InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2 |
| InChIKey | LFFIEVAMVPCZNA-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C=1C=CC=CC1C#N)CBr |
| Spectrum/Structure Validation Score (Raman) | 0.964788 |