| SpectraBase Compound ID | 4wPOvaPI4IN |
|---|---|
| InChI | InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 |
| InChIKey | MPLWTJZAFOVXKP-UHFFFAOYSA-N |
| Mol Weight | 132.22 g/mol |
| Molecular Formula | C6H12OS |
| Exact Mass | 132.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B6thCSQrEeZ |
|---|---|
| Name | S-Methylisopentanthioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.060886179 u |
| Formula | C6H12OS |
| InChI | InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 |
| InChIKey | MPLWTJZAFOVXKP-UHFFFAOYSA-N |
| Molecular Weight | 132.221 g/mol |
| SMILES | C(=O)(CC(C)C)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818424 |