| SpectraBase Compound ID | 198jpexrkxP |
|---|---|
| InChI | InChI=1S/C8H6N2O/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H2,10,11) |
| InChIKey | PAQVSWFCADWSLB-UHFFFAOYSA-N |
| Mol Weight | 146.15 g/mol |
| Molecular Formula | C8H6N2O |
| Exact Mass | 146.048013 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GwA0UETFstm |
|---|---|
| Name | 3-Amidobenzonitrile |
| 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/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H2,10,11) |
| InChIKey | PAQVSWFCADWSLB-UHFFFAOYSA-N |
| Molecular Weight | 146.149 g/mol |
| SMILES | C1(C#N)=CC(C(=O)N)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906445 |