| SpectraBase Compound ID | FDJDUyKaBDe |
|---|---|
| InChI | InChI=1S/C9H8ClNO2S/c10-8(6-11)7-14(12,13)9-4-2-1-3-5-9/h1-5,8H,7H2 |
| InChIKey | IWXBVRBZXCRQEB-UHFFFAOYSA-N |
| Mol Weight | 229.68 g/mol |
| Molecular Formula | C9H8ClNO2S |
| Exact Mass | 228.996427 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CnHt2Lx37NO |
|---|---|
| Name | Propanenitrile, 2-chloro-3-(phenylsulfonyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.996427374 u |
| Formula | C9H8ClNO2S |
| InChI | InChI=1S/C9H8ClNO2S/c10-8(6-11)7-14(12,13)9-4-2-1-3-5-9/h1-5,8H,7H2 |
| InChIKey | IWXBVRBZXCRQEB-UHFFFAOYSA-N |
| Molecular Weight | 229.681 g/mol |
| SMILES | C1=CC(S(=O)(CC(C#N)Cl)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859771 |