| SpectraBase Compound ID | KpnuxInIDFZ |
|---|---|
| InChI | InChI=1S/C3H5ClOS/c1-6-3(4)2-5/h2-3H,1H3 |
| InChIKey | XFMSCEJMILHNPO-UHFFFAOYSA-N |
| Mol Weight | 124.58 g/mol |
| Molecular Formula | C3H5ClOS |
| Exact Mass | 123.974964 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CP0GdTyRSCW |
|---|---|
| Name | Chloro(methylthio)acetaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 123.974963654 u |
| Formula | C3H5ClOS |
| InChI | InChI=1S/C3H5ClOS/c1-6-3(4)2-5/h2-3H,1H3 |
| InChIKey | XFMSCEJMILHNPO-UHFFFAOYSA-N |
| Molecular Weight | 124.585 g/mol |
| SMILES | C(C=O)(SC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94809 |