| SpectraBase Compound ID | JiwbBDhhBxf |
|---|---|
| InChI | InChI=1S/C7H13ClS/c1-7(2,3)9-6-4-5-8/h4-5H,6H2,1-3H3/b5-4+ |
| InChIKey | SYHMDZBTKIQDTO-SNAWJCMRSA-N |
| Mol Weight | 164.69 g/mol |
| Molecular Formula | C7H13ClS |
| Exact Mass | 164.042649 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Heq5zucQ1Gd |
|---|---|
| Name | 3-Tert-buylmercapto-1-chloropropene |
| 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)9-6-4-5-8/h4-5H,6H2,1-3H3/b5-4+ |
| InChIKey | SYHMDZBTKIQDTO-SNAWJCMRSA-N |
| SMILES | C(\C=C\Cl)SC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96727 |