| SpectraBase Compound ID | HFtutuQcca2 |
|---|---|
| InChI | InChI=1S/C21H16N2O/c22-16-20(17-10-4-1-5-11-17)23(19-14-8-3-9-15-19)21(24)18-12-6-2-7-13-18/h1-15,20H |
| InChIKey | UIJZNAWDHHRCAO-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C21H16N2O |
| Exact Mass | 312.126263 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8uXtL9mlnWD |
|---|---|
| Name | N-(alpha-Cyanobenzyl)benzanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.126263142 u |
| Formula | C21H16N2O |
| InChI | InChI=1S/C21H16N2O/c22-16-20(17-10-4-1-5-11-17)23(19-14-8-3-9-15-19)21(24)18-12-6-2-7-13-18/h1-15,20H |
| InChIKey | UIJZNAWDHHRCAO-UHFFFAOYSA-N |
| SMILES | C=1C=CC=CC1C(=O)N(C=1C=CC=CC1)C(C1=CC=CC=C1)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.995622 |