| SpectraBase Compound ID | E5uZ8GItFWD |
|---|---|
| InChI | InChI=1S/C9H8ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2 |
| InChIKey | PVNUPDOGDDNZBB-UHFFFAOYSA-N |
| Mol Weight | 165.62 g/mol |
| Molecular Formula | C9H8ClN |
| Exact Mass | 165.034527 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8YFHeBkx72e |
|---|---|
| Name | 3-(para-Chlorophenyl)-propionitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.034526962 u |
| Formula | C9H8ClN |
| InChI | InChI=1S/C9H8ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2 |
| InChIKey | PVNUPDOGDDNZBB-UHFFFAOYSA-N |
| Molecular Weight | 165.623 g/mol |
| SMILES | C1(Cl)=CC=C(CCC#N)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947946 |