| SpectraBase Compound ID | WhuxQaz1OG |
|---|---|
| InChI | InChI=1S/C4H8S/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+ |
| InChIKey | PSKWBKFCLVNPMT-NSCUHMNNSA-N |
| Mol Weight | 88.17 g/mol |
| Molecular Formula | C4H8S |
| Exact Mass | 88.034671 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3frTEu9wiwK |
|---|---|
| Name | (E)-2-Butene-1-thiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 88.034671432 u |
| Formula | C4H8S |
| InChI | InChI=1S/C4H8S/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+ |
| InChIKey | PSKWBKFCLVNPMT-NSCUHMNNSA-N |
| Molecular Weight | 88.168 g/mol |
| SMILES | C\C=C\CS |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97048 |