| SpectraBase Compound ID | HaHoZW7obez |
|---|---|
| InChI | InChI=1S/C9H7N3/c10-5-6-12-9-4-2-1-3-8(9)7-11/h1-4,12H,6H2 |
| InChIKey | OBEIDPUCWSXKBX-UHFFFAOYSA-N |
| Mol Weight | 157.18 g/mol |
| Molecular Formula | C9H7N3 |
| Exact Mass | 157.063997 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6WUTUQksUOr |
|---|---|
| Name | 2-(Cyanomethylamino)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.063997237 u |
| Formula | C9H7N3 |
| InChI | InChI=1S/C9H7N3/c10-5-6-12-9-4-2-1-3-8(9)7-11/h1-4,12H,6H2 |
| InChIKey | OBEIDPUCWSXKBX-UHFFFAOYSA-N |
| Molecular Weight | 157.176 g/mol |
| SMILES | C(#N)C=1C(NCC#N)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93868 |