| SpectraBase Compound ID | HgwAXjEAgqP |
|---|---|
| InChI | InChI=1S/C5H10O2S/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
| InChIKey | QWAKSOMWGWIYQP-UHFFFAOYSA-N |
| Mol Weight | 134.19 g/mol |
| Molecular Formula | C5H10O2S |
| Exact Mass | 134.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Lbb7btYiE4k |
|---|---|
| Name | Butanoic acid, 3-(methylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.040150734 u |
| Formula | C5H10O2S |
| InChI | InChI=1S/C5H10O2S/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
| InChIKey | QWAKSOMWGWIYQP-UHFFFAOYSA-N |
| Molecular Weight | 134.193 g/mol |
| SMILES | C(O)(=O)CC(C)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872645 |