| SpectraBase Compound ID | 7k71Mv8rv52 |
|---|---|
| InChI | InChI=1S/C8H14O2S/c1-5-10-7(9)6(11)8(2,3)4/h5H2,1-4H3 |
| InChIKey | FNZQFKWTFDETEC-UHFFFAOYSA-N |
| Mol Weight | 174.26 g/mol |
| Molecular Formula | C8H14O2S |
| Exact Mass | 174.071451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IsMkwGJbN6c |
|---|---|
| Name | Butanoic acid, 3,3-dimethyl-2-thioxo-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.071450863 u |
| Formula | C8H14O2S |
| InChI | InChI=1S/C8H14O2S/c1-5-10-7(9)6(11)8(2,3)4/h5H2,1-4H3 |
| InChIKey | FNZQFKWTFDETEC-UHFFFAOYSA-N |
| Molecular Weight | 174.258 g/mol |
| SMILES | C(C(=O)OCC)(C(C)(C)C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954721 |