| SpectraBase Compound ID | K6UGI4EDoN7 |
|---|---|
| InChI | InChI=1S/C20H19NOS/c1-13-10-15(3)17(11-14(13)2)18(22)12-23-19-8-4-6-16-7-5-9-21-20(16)19/h4-11H,12H2,1-3H3 |
| InChIKey | UMQUITUBIYIPSM-UHFFFAOYSA-N |
| Mol Weight | 321.44 g/mol |
| Molecular Formula | C20H19NOS |
| Exact Mass | 321.118735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DeMWDztcrvK |
|---|---|
| Name | 2-(8-Quinolinylsulfanyl)-1-(2,4,5-trimethylphenyl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.118735409 u |
| Formula | C20H19NOS |
| InChI | InChI=1S/C20H19NOS/c1-13-10-15(3)17(11-14(13)2)18(22)12-23-19-8-4-6-16-7-5-9-21-20(16)19/h4-11H,12H2,1-3H3 |
| InChIKey | UMQUITUBIYIPSM-UHFFFAOYSA-N |
| Molecular Weight | 321.438 g/mol |
| SMILES | C1(=CC(C)=C(C=C1C)C)C(CSC1=C2N=CC=CC2=CC=C1)=O |