![1H-benzimidazole, 1-[(4-fluorophenyl)sulfonyl]-](/api/spectrum/CeWkGAqeszh/structure.png?h=300&w=458 "1H-benzimidazole, 1-[(4-fluorophenyl)sulfonyl]-")
| SpectraBase Compound ID | 3Aug6evLCpw |
|---|---|
| InChI | InChI=1S/C13H9FN2O2S/c14-10-5-7-11(8-6-10)19(17,18)16-9-15-12-3-1-2-4-13(12)16/h1-9H |
| InChIKey | MCVDOHRUKGRVJP-UHFFFAOYSA-N |
| Mol Weight | 276.29 g/mol |
| Molecular Formula | C13H9FN2O2S |
| Exact Mass | 276.036877 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CeWkGAqeszh |
|---|---|
| Name | 1H-Benzimidazole, 1-[(4-fluorophenyl)sulfonyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.036876873 u |
| Formula | C13H9FN2O2S |
| InChI | InChI=1S/C13H9FN2O2S/c14-10-5-7-11(8-6-10)19(17,18)16-9-15-12-3-1-2-4-13(12)16/h1-9H |
| InChIKey | MCVDOHRUKGRVJP-UHFFFAOYSA-N |
| Molecular Weight | 276.285 g/mol |
| SMILES | C=1C=CC=2N(S(C3=CC=C(C=C3)F)(=O)=O)C=NC2C1 |