| SpectraBase Compound ID | 1Wg1x6weBCq |
|---|---|
| InChI | InChI=1S/C8H6N2O/c9-6-10-8(11)7-4-2-1-3-5-7/h1-5H,(H,10,11) |
| InChIKey | DBFAKALHTSOYSG-UHFFFAOYSA-N |
| Mol Weight | 146.15 g/mol |
| Molecular Formula | C8H6N2O |
| Exact Mass | 146.048013 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1LavKdNMhUA |
|---|---|
| Name | N-Cyanobenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.048012820 u |
| Formula | C8H6N2O |
| InChI | InChI=1S/C8H6N2O/c9-6-10-8(11)7-4-2-1-3-5-7/h1-5H,(H,10,11) |
| InChIKey | DBFAKALHTSOYSG-UHFFFAOYSA-N |
| Molecular Weight | 146.149 g/mol |
| SMILES | C(NC#N)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973901 |