![Ethyl {[(4-fluoroanilino)carbothioyl]amino}acetate](/api/spectrum/6t5ALTUwhHG/structure.png?h=300&w=458 "Ethyl {[(4-fluoroanilino)carbothioyl]amino}acetate")
| SpectraBase Compound ID | 24QaGpaclmi |
|---|---|
| InChI | InChI=1S/C11H13FN2O2S/c1-2-16-10(15)7-13-11(17)14-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H2,13,14,17) |
| InChIKey | YQFPVIBQSGHPKU-UHFFFAOYSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C11H13FN2O2S |
| Exact Mass | 256.068177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6t5ALTUwhHG |
|---|---|
| Name | Ethyl {[(4-fluoroanilino)carbothioyl]amino}acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.068177002 u |
| Formula | C11H13FN2O2S |
| InChI | InChI=1S/C11H13FN2O2S/c1-2-16-10(15)7-13-11(17)14-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H2,13,14,17) |
| InChIKey | YQFPVIBQSGHPKU-UHFFFAOYSA-N |
| Molecular Weight | 256.295 g/mol |
| SMILES | N(C(=S)NCC(=O)OCC)C=1C=CC(=CC1)F |