| SpectraBase Compound ID | MFJRMISagn |
|---|---|
| InChI | InChI=1S/C5H10S/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3 |
| InChIKey | RYHDBGRZBVURSR-UHFFFAOYSA-N |
| Mol Weight | 102.19 g/mol |
| Molecular Formula | C5H10S |
| Exact Mass | 102.050321 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7fgKXfvmDAU |
|---|---|
| Name | 2-Methyl-3-butene-1-thiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 102.050321496 u |
| Formula | C5H10S |
| InChI | InChI=1S/C5H10S/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3 |
| InChIKey | RYHDBGRZBVURSR-UHFFFAOYSA-N |
| Molecular Weight | 102.195 g/mol |
| SMILES | C=CC(CS)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924781 |