| SpectraBase Compound ID | 8HG9lEjNW68 |
|---|---|
| InChI | InChI=1S/C17H14N2O3S/c1-13-6-8-16(9-7-13)23(20,21)22-15-5-2-4-14(12-15)17-18-10-3-11-19-17/h2-12H,1H3 |
| InChIKey | FIWVBAGTUMCFCP-UHFFFAOYSA-N |
| Mol Weight | 326.37 g/mol |
| Molecular Formula | C17H14N2O3S |
| Exact Mass | 326.072513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Nv3JnafR8y |
|---|---|
| Name | 3-(Pyrimidin-2-yl)phenyl 4-methylbenzenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.072513490 u |
| Formula | C17H14N2O3S |
| InChI | InChI=1S/C17H14N2O3S/c1-13-6-8-16(9-7-13)23(20,21)22-15-5-2-4-14(12-15)17-18-10-3-11-19-17/h2-12H,1H3 |
| InChIKey | FIWVBAGTUMCFCP-UHFFFAOYSA-N |
| Molecular Weight | 326.370 g/mol |
| SMILES | C=1(C=CC(=CC1)S(OC1=CC(=CC=C1)C1=NC=CC=N1)(=O)=O)C |