| SpectraBase Compound ID | 2begOhZflBi |
|---|---|
| InChI | InChI=1S/C13H10N2O2S/c14-9-11-4-3-5-12(8-11)10-18(16,17)13-6-1-2-7-15-13/h1-8H,10H2 |
| InChIKey | LKVMGCOQPAWBNC-UHFFFAOYSA-N |
| Mol Weight | 258.29 g/mol |
| Molecular Formula | C13H10N2O2S |
| Exact Mass | 258.046299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6UKngytx5GA |
|---|---|
| Name | Benzonitrile, 3-(2-pyridylsulfonylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.046298742 u |
| Formula | C13H10N2O2S |
| InChI | InChI=1S/C13H10N2O2S/c14-9-11-4-3-5-12(8-11)10-18(16,17)13-6-1-2-7-15-13/h1-8H,10H2 |
| InChIKey | LKVMGCOQPAWBNC-UHFFFAOYSA-N |
| Molecular Weight | 258.295 g/mol |
| SMILES | C1=CC=NC(=C1)S(CC1=CC=CC(C#N)=C1)(=O)=O |