| SpectraBase Compound ID | 9YRW6FTkhuw |
|---|---|
| InChI | InChI=1S/C4H5NOS/c1-5-2-3-7-4(5)6/h2-3H,1H3 |
| InChIKey | OXSRLRNINYOVES-UHFFFAOYSA-N |
| Mol Weight | 115.15 g/mol |
| Molecular Formula | C4H5NOS |
| Exact Mass | 115.009185 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3LhmiUryshJ |
|---|---|
| Name | 3-Methyl-4-thiazoline-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 115.009184958 u |
| Formula | C4H5NOS |
| InChI | InChI=1S/C4H5NOS/c1-5-2-3-7-4(5)6/h2-3H,1H3 |
| InChIKey | OXSRLRNINYOVES-UHFFFAOYSA-N |
| Molecular Weight | 115.150 g/mol |
| SMILES | C1(SC=CN1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875292 |