![Acetic acid, [(1,1-dimethylethyl)sulfinyl]-, ethyl ester](/api/spectrum/Gy2JO8iRx13/structure.png?h=300&w=458 "Acetic acid, [(1,1-dimethylethyl)sulfinyl]-, ethyl ester")
| SpectraBase Compound ID | 4B2gw9gQXO7 |
|---|---|
| InChI | InChI=1S/C8H16O3S/c1-5-11-7(9)6-12(10)8(2,3)4/h5-6H2,1-4H3 |
| InChIKey | NKRYSBVVONAQKD-UHFFFAOYSA-N |
| Mol Weight | 192.27 g/mol |
| Molecular Formula | C8H16O3S |
| Exact Mass | 192.082016 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Gy2JO8iRx13 |
|---|---|
| Name | Acetic acid, [(1,1-dimethylethyl)sulfinyl]-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.082015546 u |
| Formula | C8H16O3S |
| InChI | InChI=1S/C8H16O3S/c1-5-11-7(9)6-12(10)8(2,3)4/h5-6H2,1-4H3 |
| InChIKey | NKRYSBVVONAQKD-UHFFFAOYSA-N |
| Molecular Weight | 192.273 g/mol |
| SMILES | C(S(C(C)(C)C)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.961148 |