| SpectraBase Compound ID | DjK6oXD6tu2 |
|---|---|
| InChI | InChI=1S/C11H13NO4S/c1-17(15,16)12-6-2-3-8-7-9(11(13)14)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3,(H,13,14) |
| InChIKey | NIVCCCWZONRAOW-UHFFFAOYSA-N |
| Mol Weight | 255.29 g/mol |
| Molecular Formula | C11H13NO4S |
| Exact Mass | 255.056529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KicRIn2cwvd |
|---|---|
| Name | 6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-(methylsulfonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.056529073 u |
| Formula | C11H13NO4S |
| InChI | InChI=1S/C11H13NO4S/c1-17(15,16)12-6-2-3-8-7-9(11(13)14)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3,(H,13,14) |
| InChIKey | NIVCCCWZONRAOW-UHFFFAOYSA-N |
| Molecular Weight | 255.288 g/mol |
| SMILES | C1CC=2C(N(S(=O)(=O)C)C1)=CC=C(C(=O)O)C2 |