![2-[(R)-methylsulfinyl]acetic acid ethyl ester](/api/spectrum/AdjO6CVz5z5/structure.png?h=300&w=458 "2-[(R)-methylsulfinyl]acetic acid ethyl ester")
| SpectraBase Compound ID | 1t6uhZY3Tza |
|---|---|
| InChI | InChI=1S/C5H10O3S/c1-3-8-5(6)4-9(2)7/h3-4H2,1-2H3 |
| InChIKey | NYFJEHXSUUKIOH-UHFFFAOYSA-N |
| Mol Weight | 150.19 g/mol |
| Molecular Formula | C5H10O3S |
| Exact Mass | 150.035065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AdjO6CVz5z5 |
|---|---|
| Name | 2-[(R)-Methylsulfinyl]acetic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.035065353 u |
| Formula | C5H10O3S |
| InChI | InChI=1S/C5H10O3S/c1-3-8-5(6)4-9(2)7/h3-4H2,1-2H3 |
| InChIKey | NYFJEHXSUUKIOH-UHFFFAOYSA-N |
| Molecular Weight | 150.192 g/mol |
| SMILES | C([S@](=O)C)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927207 |