| SpectraBase Compound ID | 9x0v2rlcZpx |
|---|---|
| InChI | InChI=1S/C5H9NO2S/c1-3-5(9-2)4-6(7)8/h4H,3H2,1-2H3/b5-4- |
| InChIKey | JTRSXEQKMOBTQL-PLNGDYQASA-N |
| Mol Weight | 147.19 g/mol |
| Molecular Formula | C5H9NO2S |
| Exact Mass | 147.0354 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | II0Vn827xF4 |
|---|---|
| Name | 2-Methylthio-1-nitrobut-1-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.035399706 u |
| Formula | C5H9NO2S |
| InChI | InChI=1S/C5H9NO2S/c1-3-5(9-2)4-6(7)8/h4H,3H2,1-2H3/b5-4- |
| InChIKey | JTRSXEQKMOBTQL-PLNGDYQASA-N |
| Molecular Weight | 147.192 g/mol |
| SMILES | CS\C(=C/N(=O)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.813784 |