| SpectraBase Spectrum ID |
1LzILg8x4Fp |
| Name |
2-Chloro-2-fluoro-2-[(2-keto-2-methoxy-ethyl)thio]acetic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.981585771 u |
| Formula |
C6H8ClFO4S |
| InChI |
InChI=1S/C6H8ClFO4S/c1-11-4(9)3-13-6(7,8)5(10)12-2/h3H2,1-2H3 |
| InChIKey |
UPPLJZUSEIDLPP-UHFFFAOYSA-N |
| Molecular Weight |
230.637 g/mol |
| SMILES |
C(C(=O)OC)(SCC(=O)OC)(F)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912743 |
![2-Chloro-2-fluoro-2-[(2-keto-2-methoxy-ethyl)thio]acetic acid methyl ester](/api/spectrum/1LzILg8x4Fp/structure.png?h=300&w=458 "2-Chloro-2-fluoro-2-[(2-keto-2-methoxy-ethyl)thio]acetic acid methyl ester")
