![[(Ethylthio)methyl]thiocarbonyl-4-chlorobenzene](/api/spectrum/ADnJzLw7yjT/structure.png?h=300&w=458 "[(Ethylthio)methyl]thiocarbonyl-4-chlorobenzene")
| SpectraBase Compound ID | H6Hs7etmE8z |
|---|---|
| InChI | InChI=1S/C10H11ClS2/c1-2-13-7-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3 |
| InChIKey | LXDMIJHBULLILX-UHFFFAOYSA-N |
| Mol Weight | 230.77 g/mol |
| Molecular Formula | C10H11ClS2 |
| Exact Mass | 229.99907 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ADnJzLw7yjT |
|---|---|
| Name | [(Ethylthio)methyl]thiocarbonyl-4-chlorobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.999070402 u |
| Formula | C10H11ClS2 |
| InChI | InChI=1S/C10H11ClS2/c1-2-13-7-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3 |
| InChIKey | LXDMIJHBULLILX-UHFFFAOYSA-N |
| Molecular Weight | 230.771 g/mol |
| SMILES | C(C=1C=CC(=CC1)Cl)(=S)CSCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871239 |