| SpectraBase Compound ID | CsIV6lHBFIE |
|---|---|
| InChI | InChI=1S/C6H12O2S/c1-3-5-6-9(7,8)4-2/h5-6H,3-4H2,1-2H3/b6-5+ |
| InChIKey | UASHFUIDGBMTEB-AATRIKPKSA-N |
| Mol Weight | 148.22 g/mol |
| Molecular Formula | C6H12O2S |
| Exact Mass | 148.055801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2wYX2ERDSy3 |
|---|---|
| Name | (E)-1-Butenyl ethyl sulfone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.055800798 u |
| Formula | C6H12O2S |
| InChI | InChI=1S/C6H12O2S/c1-3-5-6-9(7,8)4-2/h5-6H,3-4H2,1-2H3/b6-5+ |
| InChIKey | UASHFUIDGBMTEB-AATRIKPKSA-N |
| Molecular Weight | 148.220 g/mol |
| SMILES | C(S(=O)(=O)\C=C\CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894581 |