![3-[(4-Chlorophenyl)amino]propanenitrile](/api/spectrum/CL2I0BQFkrx/structure.png?h=300&w=458 "3-[(4-Chlorophenyl)amino]propanenitrile")
| SpectraBase Compound ID | Lg0AKmQOR1J |
|---|---|
| InChI | InChI=1S/C9H9ClN2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,12H,1,7H2 |
| InChIKey | CNFGGHYTGAQWEQ-UHFFFAOYSA-N |
| Mol Weight | 180.64 g/mol |
| Molecular Formula | C9H9ClN2 |
| Exact Mass | 180.045426 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CL2I0BQFkrx |
|---|---|
| Name | 3-[(4-Chlorophenyl)amino]propanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.045425998 u |
| Formula | C9H9ClN2 |
| InChI | InChI=1S/C9H9ClN2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,12H,1,7H2 |
| InChIKey | CNFGGHYTGAQWEQ-UHFFFAOYSA-N |
| Molecular Weight | 180.638 g/mol |
| SMILES | C(#N)CCNC1=CC=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932932 |