| SpectraBase Compound ID | 8BehSNc9mF9 |
|---|---|
| InChI | InChI=1S/C16H12N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H,1-2H2 |
| InChIKey | JOAJACMXZILVRY-UHFFFAOYSA-N |
| Mol Weight | 232.29 g/mol |
| Molecular Formula | C16H12N2 |
| Exact Mass | 232.100048 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | C2KqjJW9jXf |
|---|---|
| Name | alpha,alpha'-bi-p-Tolunitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.100048394 u |
| Formula | C16H12N2 |
| InChI | InChI=1S/C16H12N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H,1-2H2 |
| InChIKey | JOAJACMXZILVRY-UHFFFAOYSA-N |
| Molecular Weight | 232.286 g/mol |
| SMILES | C=1C(=CC=C(C1)C#N)CCC=1C=CC(=CC1)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.965546 |