| SpectraBase Compound ID | Btjsecl5T51 |
|---|---|
| InChI | InChI=1S/C9H7N3/c10-5-8(6-11)7-1-3-9(12)4-2-7/h1-4,8H,12H2 |
| InChIKey | BDUFKRHXTVZQFY-UHFFFAOYSA-N |
| Mol Weight | 157.18 g/mol |
| Molecular Formula | C9H7N3 |
| Exact Mass | 157.063997 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9nDeRgkDFdf |
|---|---|
| Name | 2-(4-Aminophenyl)malononitrile |
| 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/c10-5-8(6-11)7-1-3-9(12)4-2-7/h1-4,8H,12H2 |
| InChIKey | BDUFKRHXTVZQFY-UHFFFAOYSA-N |
| SMILES | Nc1ccc(cc1)C(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917977 |