| SpectraBase Compound ID | DcPNcA2XSF1 |
|---|---|
| InChI | InChI=1S/C10H20O2S/c1-5-6-7-8-9-13(11,12)10(2,3)4/h8-9H,5-7H2,1-4H3/b9-8+ |
| InChIKey | JVLARUOHACFOHD-CMDGGOBGSA-N |
| Mol Weight | 204.33 g/mol |
| Molecular Formula | C10H20O2S |
| Exact Mass | 204.118401 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8sZuZEebS3k |
|---|---|
| Name | (E)-1-Tert-butylsulfonyl-1-hexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.118401056 u |
| Formula | C10H20O2S |
| InChI | InChI=1S/C10H20O2S/c1-5-6-7-8-9-13(11,12)10(2,3)4/h8-9H,5-7H2,1-4H3/b9-8+ |
| InChIKey | JVLARUOHACFOHD-CMDGGOBGSA-N |
| Molecular Weight | 204.328 g/mol |
| SMILES | C(S(\C=C\CCCC)(=O)=O)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958851 |