| SpectraBase Compound ID | G532tW5wRCE |
|---|---|
| InChI | InChI=1S/C16H12ClNO3S/c1-11-5-6-12-3-2-4-15(16(12)18-11)21-22(19,20)14-9-7-13(17)8-10-14/h2-10H,1H3 |
| InChIKey | FLPUONBKZIGLOR-UHFFFAOYSA-N |
| Mol Weight | 333.79 g/mol |
| Molecular Formula | C16H12ClNO3S |
| Exact Mass | 333.022642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 60ImRSnRE4W |
|---|---|
| Name | 2-Methylquinolin-8-yl 4-chlorobenzenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.022642121 u |
| Formula | C16H12ClNO3S |
| InChI | InChI=1S/C16H12ClNO3S/c1-11-5-6-12-3-2-4-15(16(12)18-11)21-22(19,20)14-9-7-13(17)8-10-14/h2-10H,1H3 |
| InChIKey | FLPUONBKZIGLOR-UHFFFAOYSA-N |
| Molecular Weight | 333.789 g/mol |
| SMILES | C12=C(C=CC=C2C=CC(=N1)C)OS(C1=CC=C(C=C1)Cl)(=O)=O |