| SpectraBase Compound ID | BySzgrJL3qU |
|---|---|
| InChI | InChI=1S/C10H8ClNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3 |
| InChIKey | IPBZEJZUAZXNOS-UHFFFAOYSA-N |
| Mol Weight | 193.63 g/mol |
| Molecular Formula | C10H8ClNO |
| Exact Mass | 193.029442 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hby0cLaD9Vg |
|---|---|
| Name | 2-(4-Chlorophenyl)-3-oxobutanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.029441581 u |
| Formula | C10H8ClNO |
| InChI | InChI=1S/C10H8ClNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3 |
| InChIKey | IPBZEJZUAZXNOS-UHFFFAOYSA-N |
| Molecular Weight | 193.633 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C(C(=O)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.825607 |