| SpectraBase Compound ID | CqfFWWRjTAN |
|---|---|
| InChI | InChI=1S/C16H15N/c1-2-16(13-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3 |
| InChIKey | NQCFFHSZJWFYEU-UHFFFAOYSA-N |
| Mol Weight | 221.3 g/mol |
| Molecular Formula | C16H15N |
| Exact Mass | 221.120449 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 61fqMmMAVuY |
|---|---|
| Name | 2,2-Diphenylbutyronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.120449487 u |
| Formula | C16H15N |
| InChI | InChI=1S/C16H15N/c1-2-16(13-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3 |
| InChIKey | NQCFFHSZJWFYEU-UHFFFAOYSA-N |
| Molecular Weight | 221.303 g/mol |
| SMILES | C=1C(=CC=CC1)C(C=1C=CC=CC1)(CC)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.997082 |