| SpectraBase Compound ID | 63MG1NjfxCk |
|---|---|
| InChI | InChI=1S/C14H11N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10H2 |
| InChIKey | HSZCNGTZJWZAMF-UHFFFAOYSA-N |
| Mol Weight | 193.25 g/mol |
| Molecular Formula | C14H11N |
| Exact Mass | 193.089149 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 24RYQqHJBb0 |
|---|---|
| Name | (4-Biphenylyl)acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.089149358 u |
| Formula | C14H11N |
| InChI | InChI=1S/C14H11N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10H2 |
| InChIKey | HSZCNGTZJWZAMF-UHFFFAOYSA-N |
| Molecular Weight | 193.249 g/mol |
| SMILES | C=1C(=CC=CC1)C=1C=CC(=CC1)CC#N |
| Spectrum/Structure Validation Score (Raman) | 0.91994 |