| SpectraBase Compound ID | 28WQPCIZjHq |
|---|---|
| InChI | InChI=1S/C8H14O3S/c1-5-12-7(10)8(2,3)6(9)11-4/h5H2,1-4H3 |
| InChIKey | NTOSCSYMWSWDJT-UHFFFAOYSA-N |
| Mol Weight | 190.26 g/mol |
| Molecular Formula | C8H14O3S |
| Exact Mass | 190.066365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LhUNowRKcuL |
|---|---|
| Name | o-Methyl S-ethyl 2,2-dimethylmonothiomalonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.066365482 u |
| Formula | C8H14O3S |
| InChI | InChI=1S/C8H14O3S/c1-5-12-7(10)8(2,3)6(9)11-4/h5H2,1-4H3 |
| InChIKey | NTOSCSYMWSWDJT-UHFFFAOYSA-N |
| Molecular Weight | 190.257 g/mol |
| SMILES | C(C(=O)SCC)(C(=O)OC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922149 |