| SpectraBase Compound ID | LRDxUCvVr2J |
|---|---|
| InChI | InChI=1S/C4H6ClNS/c5-1-3-7-4-2-6/h1,3-4H2 |
| InChIKey | SNGPFRROGIZDOS-UHFFFAOYSA-N |
| Mol Weight | 135.61 g/mol |
| Molecular Formula | C4H6ClNS |
| Exact Mass | 134.990948 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LmG4hjZvwpg |
|---|---|
| Name | Cyanomethyl 2-chloroethyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.990948071 u |
| Formula | C4H6ClNS |
| InChI | InChI=1S/C4H6ClNS/c5-1-3-7-4-2-6/h1,3-4H2 |
| InChIKey | SNGPFRROGIZDOS-UHFFFAOYSA-N |
| SMILES | C(SCCCl)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893159 |