| SpectraBase Compound ID | Ivtn0Tsz9mb |
|---|---|
| InChI | InChI=1S/C11H11NO3S/c1-8-6-7-9-4-3-5-10(11(9)12-8)15-16(2,13)14/h3-7H,1-2H3 |
| InChIKey | LLIOBUAWSRELMC-UHFFFAOYSA-N |
| Mol Weight | 237.27 g/mol |
| Molecular Formula | C11H11NO3S |
| Exact Mass | 237.045964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DDVVW8jlASl |
|---|---|
| Name | 2-Methylquinolin-8-yl methanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.045964389 u |
| Formula | C11H11NO3S |
| InChI | InChI=1S/C11H11NO3S/c1-8-6-7-9-4-3-5-10(11(9)12-8)15-16(2,13)14/h3-7H,1-2H3 |
| InChIKey | LLIOBUAWSRELMC-UHFFFAOYSA-N |
| Molecular Weight | 237.273 g/mol |
| SMILES | C12=C(C=CC=C2C=CC(=N1)C)OS(C)(=O)=O |