| SpectraBase Compound ID | 9OmIpY57UJ7 |
|---|---|
| InChI | InChI=1S/C9H19ClS2/c1-9(2,3)8(11-4)12-7-5-6-10/h8H,5-7H2,1-4H3 |
| InChIKey | RDHDYIVMJDIHEY-UHFFFAOYSA-N |
| Mol Weight | 226.82 g/mol |
| Molecular Formula | C9H19ClS2 |
| Exact Mass | 226.061671 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HzGSAA8YIcV |
|---|---|
| Name | 1-(3-Chloropropylthio)2,2-dimethyl-1-(methylthio)-propane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.061670660 u |
| Formula | C9H19ClS2 |
| InChI | InChI=1S/C9H19ClS2/c1-9(2,3)8(11-4)12-7-5-6-10/h8H,5-7H2,1-4H3 |
| InChIKey | RDHDYIVMJDIHEY-UHFFFAOYSA-N |
| Molecular Weight | 226.824 g/mol |
| SMILES | C(C(C)(C)C)(SCCCCl)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941793 |