![N-[2-[p-Fluorophenylthio]ethyl]-4-hydroxybutyramide](/api/spectrum/BRN2WmSKBiW/structure.png?h=300&w=458 "N-[2-[p-Fluorophenylthio]ethyl]-4-hydroxybutyramide")
| SpectraBase Compound ID | 3OFL5r1hkL6 |
|---|---|
| InChI | InChI=1S/C12H16FNO2S/c13-10-3-5-11(6-4-10)17-9-7-14-12(16)2-1-8-15/h3-6,15H,1-2,7-9H2,(H,14,16) |
| InChIKey | UJYHDIGYSPBTBZ-UHFFFAOYSA-N |
| Mol Weight | 257.32 g/mol |
| Molecular Formula | C12H16FNO2S |
| Exact Mass | 257.088578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRN2WmSKBiW |
|---|---|
| Name | N-[2-[p-Fluorophenylthio]ethyl]-4-hydroxybutyramide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.088578094 u |
| Formula | C12H16FNO2S |
| InChI | InChI=1S/C12H16FNO2S/c13-10-3-5-11(6-4-10)17-9-7-14-12(16)2-1-8-15/h3-6,15H,1-2,7-9H2,(H,14,16) |
| InChIKey | UJYHDIGYSPBTBZ-UHFFFAOYSA-N |
| Molecular Weight | 257.323 g/mol |
| SMILES | C(=O)(CCCO)NCCSC=1C=CC(F)=CC1 |