![2-Butanone, 3-[(2-chloroethyl)thio]-](/api/spectrum/3bh0N2mZT5A/structure.png?h=300&w=458 "2-Butanone, 3-[(2-chloroethyl)thio]-")
| SpectraBase Compound ID | JIKYfhMo1vr |
|---|---|
| InChI | InChI=1S/C6H11ClOS/c1-5(8)6(2)9-4-3-7/h6H,3-4H2,1-2H3 |
| InChIKey | JLAIDVZMRPZYQI-UHFFFAOYSA-N |
| Mol Weight | 166.67 g/mol |
| Molecular Formula | C6H11ClOS |
| Exact Mass | 166.021914 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3bh0N2mZT5A |
|---|---|
| Name | 2-Butanone, 3-[(2-chloroethyl)thio]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.021913847 u |
| Formula | C6H11ClOS |
| InChI | InChI=1S/C6H11ClOS/c1-5(8)6(2)9-4-3-7/h6H,3-4H2,1-2H3 |
| InChIKey | JLAIDVZMRPZYQI-UHFFFAOYSA-N |
| Molecular Weight | 166.666 g/mol |
| SMILES | CC(C(SCCCl)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927433 |