![1,1,1-Trichloro-2-hydroxy-2-[2-acetamidoethylthio]ethane](/api/spectrum/AfYAQezMmtb/structure.png?h=300&w=458 "1,1,1-Trichloro-2-hydroxy-2-[2-acetamidoethylthio]ethane")
| SpectraBase Compound ID | 561A01uAAM6 |
|---|---|
| InChI | InChI=1S/C6H10Cl3NO2S/c1-4(11)10-2-3-13-5(12)6(7,8)9/h5,12H,2-3H2,1H3,(H,10,11) |
| InChIKey | ABIMQIMERFMGOP-UHFFFAOYSA-N |
| Mol Weight | 266.57 g/mol |
| Molecular Formula | C6H10Cl3NO2S |
| Exact Mass | 264.949783 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AfYAQezMmtb |
|---|---|
| Name | 1,1,1-Trichloro-2-hydroxy-2-[2-acetamidoethylthio]ethane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.949782838 u |
| Formula | C6H10Cl3NO2S |
| InChI | InChI=1S/C6H10Cl3NO2S/c1-4(11)10-2-3-13-5(12)6(7,8)9/h5,12H,2-3H2,1H3,(H,10,11) |
| InChIKey | ABIMQIMERFMGOP-UHFFFAOYSA-N |
| SMILES | C(=O)(C)NCCSC(O)C(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925721 |