| SpectraBase Compound ID | JeXDRrrvUGw |
|---|---|
| InChI | InChI=1S/C3H4ClNS/c4-1-2-6-3-5/h1-2H2 |
| InChIKey | DYLSBDPBASJBDZ-UHFFFAOYSA-N |
| Mol Weight | 121.58 g/mol |
| Molecular Formula | C3H4ClNS |
| Exact Mass | 120.975298 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JFXOCzVlaJL |
|---|---|
| Name | 2-Chloroethyl thiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 120.975298007 u |
| Formula | C3H4ClNS |
| InChI | InChI=1S/C3H4ClNS/c4-1-2-6-3-5/h1-2H2 |
| InChIKey | DYLSBDPBASJBDZ-UHFFFAOYSA-N |
| SMILES | C(SCCCl)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888079 |