| SpectraBase Compound ID | D3eEnoUtNox |
|---|---|
| InChI | InChI=1S/C7H13ClS/c1-7(2,3)6(5-8)9-4/h5H,1-4H3/b6-5- |
| InChIKey | KKCUPAQRGUGUDD-WAYWQWQTSA-N |
| Mol Weight | 164.69 g/mol |
| Molecular Formula | C7H13ClS |
| Exact Mass | 164.042649 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KCl0wo0tw1j |
|---|---|
| Name | (Z)-1-Chloranyl-3,3-dimethyl-2-methylsulfanyl-but-1-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.042649293 u |
| Formula | C7H13ClS |
| InChI | InChI=1S/C7H13ClS/c1-7(2,3)6(5-8)9-4/h5H,1-4H3/b6-5- |
| InChIKey | KKCUPAQRGUGUDD-WAYWQWQTSA-N |
| SMILES | C(\C(=C\Cl)SC)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901846 |