![(4-Fluorophenyl) 2-[(ethoxycarbothioyl)sulfanyl]acetate](/api/spectrum/JZGLl5A2MSh/structure.png?h=300&w=458 "(4-Fluorophenyl) 2-[(ethoxycarbothioyl)sulfanyl]acetate")
| SpectraBase Compound ID | BugKY1nimVq |
|---|---|
| InChI | InChI=1S/C11H11FO3S2/c1-2-14-11(16)17-7-10(13)15-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3 |
| InChIKey | TWMLWWLIWZXJDS-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C11H11FO3S2 |
| Exact Mass | 274.013365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZGLl5A2MSh |
|---|---|
| Name | (4-Fluorophenyl) 2-[(ethoxycarbothioyl)sulfanyl]acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.013364722 u |
| Formula | C11H11FO3S2 |
| InChI | InChI=1S/C11H11FO3S2/c1-2-14-11(16)17-7-10(13)15-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3 |
| InChIKey | TWMLWWLIWZXJDS-UHFFFAOYSA-N |
| Molecular Weight | 274.324 g/mol |
| SMILES | C(OCC)(SCC(=O)OC1=CC=C(C=C1)F)=S |