| SpectraBase Compound ID | 3Lil5TA5GKj |
|---|---|
| InChI | InChI=1S/C6H9IO2S/c7-5-6-3-1-2-4-10(6,8)9/h5H,1-4H2/b6-5+ |
| InChIKey | WQNZLACHHKVBJD-AATRIKPKSA-N |
| Mol Weight | 272.1 g/mol |
| Molecular Formula | C6H9IO2S |
| Exact Mass | 271.936796 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 201WGp1NApL |
|---|---|
| Name | (E)-2-(Iodomethylene)tetrahydro-2H-thiopyran 1,1-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.936795702 u |
| Formula | C6H9IO2S |
| InChI | InChI=1S/C6H9IO2S/c7-5-6-3-1-2-4-10(6,8)9/h5H,1-4H2/b6-5+ |
| InChIKey | WQNZLACHHKVBJD-AATRIKPKSA-N |
| Molecular Weight | 272.100 g/mol |
| SMILES | C1\C(S(CCC1)(=O)=O)=C/I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883451 |