![2-Butyn-1-ol, 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]-](/api/spectrum/BARjLGhicfM/structure.png?h=300&w=458 "2-Butyn-1-ol, 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]-")
| SpectraBase Compound ID | E4sMvSurnFN |
|---|---|
| InChI | InChI=1S/C12H9FN2O2S/c13-10-5-3-9(4-6-10)11-14-15-12(17-11)18-8-2-1-7-16/h3-6,16H,7-8H2 |
| InChIKey | QYEAWOMXQPIZLZ-UHFFFAOYSA-N |
| Mol Weight | 264.27 g/mol |
| Molecular Formula | C12H9FN2O2S |
| Exact Mass | 264.036877 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BARjLGhicfM |
|---|---|
| Name | 2-Butyn-1-ol, 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.036876873 u |
| Formula | C12H9FN2O2S |
| InChI | InChI=1S/C12H9FN2O2S/c13-10-5-3-9(4-6-10)11-14-15-12(17-11)18-8-2-1-7-16/h3-6,16H,7-8H2 |
| InChIKey | QYEAWOMXQPIZLZ-UHFFFAOYSA-N |
| Molecular Weight | 264.274 g/mol |
| SMILES | OCC#CCSC1=NN=C(O1)C1=CC=C(C=C1)F |